CID 17749728

N-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide

Structural Information

Molecular Formula
C23H22ClN3O3S
SMILES
CC1=C(NC(=C1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)C4=CC(=CC=C4)Cl)C
InChI
InChI=1S/C23H22ClN3O3S/c1-13-14(2)22(25-15(13)3)12-20-19-11-18(8-9-21(19)26-23(20)28)31(29,30)27(4)17-7-5-6-16(24)10-17/h5-11,25H,12H2,1-4H3
InChIKey
YMJLSOJLEXWATP-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

455.10703 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11431 211.8
[M+Na]+ 478.09625 224.3
[M-H]- 454.09975 222.7
[M+NH4]+ 473.14085 224.6
[M+K]+ 494.07019 217.1
[M+H-H2O]+ 438.10429 204.9
[M+HCOO]- 500.10523 224.5
[M+CH3COO]- 514.12088 232.8
[M+Na-2H]- 476.08170 209.0
[M]+ 455.10648 222.2
[M]- 455.10758 222.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe