CID 483554

Schembl8938484

Structural Information

Molecular Formula
C16H11ClN4O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=NC#N)N
InChI
InChI=1S/C16H11ClN4O2S/c17-10-6-7-13-12(8-10)15(14(21-13)16(19)20-9-18)24(22,23)11-4-2-1-3-5-11/h1-8,21H,(H2,19,20)
InChIKey
FETQLZZFLGJTGE-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N'-cyano-1H-indole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.0291 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03638 197.7
[M+Na]+ 381.01832 210.3
[M-H]- 357.02182 203.0
[M+NH4]+ 376.06292 210.8
[M+K]+ 396.99226 201.5
[M+H-H2O]+ 341.02636 184.3
[M+HCOO]- 403.02730 208.4
[M+CH3COO]- 417.04295 206.3
[M+Na-2H]- 379.00377 198.9
[M]+ 358.02855 195.8
[M]- 358.02965 195.8
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.