CID 16050441

Schembl4310452

Structural Information

Molecular Formula
C15H15ClN2O3S
SMILES
C1CC=CC(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H15ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h2,4,6-8,10,18H,1,3,5H2,(H2,17,19)
InChIKey
MJNHFODUZJQSRM-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclohex-2-en-1-ylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.0492 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05648 174.6
[M+Na]+ 361.03842 184.0
[M-H]- 337.04192 179.8
[M+NH4]+ 356.08302 190.0
[M+K]+ 377.01236 177.1
[M+H-H2O]+ 321.04646 169.2
[M+HCOO]- 383.04740 184.4
[M+CH3COO]- 397.06305 203.7
[M+Na-2H]- 359.02387 175.9
[M]+ 338.04865 176.3
[M]- 338.04975 176.3
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