CID 10766712

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

Structural Information

Molecular Formula
C22H17BrN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)C4=CC=C(C=C4)Br)N
InChI
InChI=1S/C22H17BrN2O3S/c1-14-6-12-17(13-7-14)29(27,28)25-19-5-3-2-4-18(19)20(24)21(25)22(26)15-8-10-16(23)11-9-15/h2-13H,24H2,1H3
InChIKey
QBODNLQJHFIDNG-UHFFFAOYSA-N
Compound name
[3-amino-1-(4-methylphenyl)sulfonylindol-2-yl]-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.01434 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.02162 197.2
[M+Na]+ 491.00356 210.2
[M-H]- 467.00706 209.6
[M+NH4]+ 486.04816 211.0
[M+K]+ 506.97750 196.7
[M+H-H2O]+ 451.01160 195.7
[M+HCOO]- 513.01254 212.5
[M+CH3COO]- 527.02819 209.5
[M+Na-2H]- 488.98901 200.0
[M]+ 468.01379 219.8
[M]- 468.01489 219.8
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.