PubChemLite - 1792173-34-2 (C39H30N2O2S)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C

InChI

InChI=1S/C39H30N2O2S/c1-39(2)33-13-5-9-17-37(33)41(38-18-10-6-14-34(38)39)28-21-25-30(26-22-28)44(42,43)29-23-19-27(20-24-29)40-35-15-7-3-11-31(35)32-12-4-8-16-36(32)40/h3-26H,1-2H3

InChIKey

SPPLEVHTUMPNLQ-UHFFFAOYSA-N

Compound name

10-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]-9,9-dimethylacridine

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]+	591.21008	249.1
[M+Na]+	613.19202	258.8
[M-H]-	589.19552	261.6
[M+NH4]+	608.23662	255.9
[M+K]+	629.16596	249.1
[M+H-H2O]+	573.20006	234.0
[M+HCOO]-	635.20100	257.3
[M+CH3COO]-	649.21665	254.5
[M+Na-2H]-	611.17747	251.4
[M]+	590.20225	252.3
[M]-	590.20335	252.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

591.21008

249.1

[M+Na]+

613.19202

258.8

[M-H]-

589.19552

261.6

[M+NH4]+

608.23662

255.9

[M+K]+

629.16596

249.1

[M+H-H2O]+

573.20006

234.0

[M+HCOO]-

635.20100

257.3

[M+CH3COO]-

649.21665

254.5

[M+Na-2H]-

611.17747

251.4

[M]+

590.20225

252.3

[M]-

590.20335

252.3

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

1792173-34-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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