CID 483543

Schembl8938331

Structural Information

Molecular Formula
C20H16Cl2N4O3S
SMILES
CN1C=CN=C1CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H16Cl2N4O3S/c1-26-8-7-23-17(26)11-24-20(27)18-19(15-10-13(22)5-6-16(15)25-18)30(28,29)14-4-2-3-12(21)9-14/h2-10,25H,11H2,1H3,(H,24,27)
InChIKey
UPYRKWZZMAQDNN-UHFFFAOYSA-N
Compound name
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

462.032 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.03928 207.1
[M+Na]+ 485.02122 219.0
[M-H]- 461.02472 214.6
[M+NH4]+ 480.06582 217.6
[M+K]+ 500.99516 211.0
[M+H-H2O]+ 445.02926 200.0
[M+HCOO]- 507.03020 213.1
[M+CH3COO]- 521.04585 216.2
[M+Na-2H]- 483.00667 206.0
[M]+ 462.03145 215.3
[M]- 462.03255 215.3
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

No patent data available for this compound.