CID 483545

Schembl8938345

Structural Information

Molecular Formula
C21H19ClN4O3S
SMILES
CN1C=C(N=C1)CCNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H19ClN4O3S/c1-26-12-15(24-13-26)9-10-23-21(27)19-20(17-11-14(22)7-8-18(17)25-19)30(28,29)16-5-3-2-4-6-16/h2-8,11-13,25H,9-10H2,1H3,(H,23,27)
InChIKey
YKTUEHYXFIFGAI-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-[2-(1-methylimidazol-4-yl)ethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

442.08664 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.09392 204.7
[M+Na]+ 465.07586 215.3
[M-H]- 441.07936 212.3
[M+NH4]+ 460.12046 215.3
[M+K]+ 481.04980 207.6
[M+H-H2O]+ 425.08390 197.0
[M+HCOO]- 487.08484 215.5
[M+CH3COO]- 501.10049 214.0
[M+Na-2H]- 463.06131 204.6
[M]+ 442.08609 211.7
[M]- 442.08719 211.7
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.