PubChemLite - 1685287-55-1 (C43H36N2O)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)C5=CC=C(C=C5)N6C7=CC=CC=C7C(C8=CC=CC=C86)(C)C)C

InChI

InChI=1S/C43H36N2O/c1-42(2)33-13-5-9-17-37(33)44(38-18-10-6-14-34(38)42)31-25-21-29(22-26-31)41(46)30-23-27-32(28-24-30)45-39-19-11-7-15-35(39)43(3,4)36-16-8-12-20-40(36)45/h5-28H,1-4H3

InChIKey

CDEASXIPDPAOGW-UHFFFAOYSA-N

Compound name

bis[4-(9,9-dimethylacridin-10-yl)phenyl]methanone

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]+	597.29008	258.7
[M+Na]+	619.27202	265.2
[M-H]-	595.27552	269.2
[M+NH4]+	614.31662	263.6
[M+K]+	635.24596	254.4
[M+H-H2O]+	579.28006	236.7
[M+HCOO]-	641.28100	265.2
[M+CH3COO]-	655.29665	261.4
[M+Na-2H]-	617.25747	257.7
[M]+	596.28225	255.5
[M]-	596.28335	255.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.29008

258.7

[M+Na]+

619.27202

265.2

[M-H]-

595.27552

269.2

[M+NH4]+

614.31662

263.6

[M+K]+

635.24596

254.4

[M+H-H2O]+

579.28006

236.7

[M+HCOO]-

641.28100

265.2

[M+CH3COO]-

655.29665

261.4

[M+Na-2H]-

617.25747

257.7

[M]+

596.28225

255.5

[M]-

596.28335

255.5

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

1685287-55-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe