CID 16051883

Schembl4312843

Structural Information

Molecular Formula
C12H11ClN2O3S
SMILES
C1CC1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C12H11ClN2O3S/c13-6-1-4-9-8(5-6)11(10(15-9)12(14)16)19(17,18)7-2-3-7/h1,4-5,7,15H,2-3H2,(H2,14,16)
InChIKey
UYDBRHDCYPGLRB-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclopropylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

298.01788 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02516 157.6
[M+Na]+ 321.00710 169.9
[M-H]- 297.01060 163.7
[M+NH4]+ 316.05170 170.1
[M+K]+ 336.98104 162.3
[M+H-H2O]+ 281.01514 153.1
[M+HCOO]- 343.01608 170.1
[M+CH3COO]- 357.03173 199.2
[M+Na-2H]- 318.99255 160.2
[M]+ 298.01733 164.1
[M]- 298.01843 164.1
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