CID 483542

Schembl8938277

Structural Information

Molecular Formula
C20H17ClN4O3S
SMILES
CN1C=NC=C1CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H17ClN4O3S/c1-25-12-22-10-14(25)11-23-20(26)18-19(16-9-13(21)7-8-17(16)24-18)29(27,28)15-5-3-2-4-6-15/h2-10,12,24H,11H2,1H3,(H,23,26)
InChIKey
UMARNBXQRSKRMR-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

428.07098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07826 200.5
[M+Na]+ 451.06020 211.6
[M-H]- 427.06370 208.4
[M+NH4]+ 446.10480 211.7
[M+K]+ 467.03414 204.1
[M+H-H2O]+ 411.06824 193.0
[M+HCOO]- 473.06918 211.7
[M+CH3COO]- 487.08483 210.3
[M+Na-2H]- 449.04565 200.9
[M]+ 428.07043 207.3
[M]- 428.07153 207.3
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

patents stripe