PubChemLite - 1242056-42-3 (C51H38N2)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C

InChI

InChI=1S/C51H38N2/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39/h3-34H,1-2H3

InChIKey

GJWBRYKOJMOBHH-UHFFFAOYSA-N

Compound name

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

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]+	679.31078	267.3
[M+Na]+	701.29272	272.8
[M-H]-	677.29622	286.2
[M+NH4]+	696.33732	271.3
[M+K]+	717.26666	261.8
[M+H-H2O]+	661.30076	248.5
[M+HCOO]-	723.30170	281.6
[M+CH3COO]-	737.31735	270.8
[M+Na-2H]-	699.27817	262.2
[M]+	678.30295	266.5
[M]-	678.30405	266.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.31078

267.3

[M+Na]+

701.29272

272.8

[M-H]-

677.29622

286.2

[M+NH4]+

696.33732

271.3

[M+K]+

717.26666

261.8

[M+H-H2O]+

661.30076

248.5

[M+HCOO]-

723.30170

281.6

[M+CH3COO]-

737.31735

270.8

[M+Na-2H]-

699.27817

262.2

[M]+

678.30295

266.5

[M]-

678.30405

266.5

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

1242056-42-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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