PubChemLite - 1883400-34-7 (C48H36N6)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC(=C(N=C5C6=CC=C(C=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C)C#N)C#N)C

InChI

InChI=1S/C48H36N6/c1-47(2)35-13-5-9-17-41(35)53(42-18-10-6-14-36(42)47)33-25-21-31(22-26-33)45-46(52-40(30-50)39(29-49)51-45)32-23-27-34(28-24-32)54-43-19-11-7-15-37(43)48(3,4)38-16-8-12-20-44(38)54/h5-28H,1-4H3

InChIKey

LNEPRUZQMSZVIU-UHFFFAOYSA-N

Compound name

5,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]pyrazine-2,3-dicarbonitrile

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	697.30748	255.8
[M+Na]+	719.28942	267.5
[M-H]-	695.29292	257.2
[M+NH4]+	714.33402	253.3
[M+K]+	735.26336	245.0
[M+H-H2O]+	679.29746	229.4
[M+HCOO]-	741.29840	254.1
[M+CH3COO]-	755.31405	253.1
[M+Na-2H]-	717.27487	251.0
[M]+	696.29965	244.6
[M]-	696.30075	244.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.30748

255.8

[M+Na]+

719.28942

267.5

[M-H]-

695.29292

257.2

[M+NH4]+

714.33402

253.3

[M+K]+

735.26336

245.0

[M+H-H2O]+

679.29746

229.4

[M+HCOO]-

741.29840

254.1

[M+CH3COO]-

755.31405

253.1

[M+Na-2H]-

717.27487

251.0

[M]+

696.29965

244.6

[M]-

696.30075

244.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1883400-34-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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