CID 10524442

(3-amino-1-((4-methylphenyl)sulfonyl)-1h-indol-2-yl)(phenyl)methanone

Structural Information

Molecular Formula
C22H18N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C22H18N2O3S/c1-15-11-13-17(14-12-15)28(26,27)24-19-10-6-5-9-18(19)20(23)21(24)22(25)16-7-3-2-4-8-16/h2-14H,23H2,1H3
InChIKey
SYJXOJVGMVPKHX-UHFFFAOYSA-N
Compound name
[3-amino-1-(4-methylphenyl)sulfonylindol-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.10382 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11110 193.4
[M+Na]+ 413.09304 203.5
[M-H]- 389.09654 203.6
[M+NH4]+ 408.13764 206.1
[M+K]+ 429.06698 196.8
[M+H-H2O]+ 373.10108 185.1
[M+HCOO]- 435.10202 210.9
[M+CH3COO]- 449.11767 204.1
[M+Na-2H]- 411.07849 195.4
[M]+ 390.10327 197.5
[M]- 390.10437 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.