CID 11984575

5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C13H14BrN3O3S
SMILES
C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)N
InChI
InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)
InChIKey
FEPUPYVRZUWCQB-UHFFFAOYSA-N
Compound name
5-bromo-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

370.99393 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.00121 170.6
[M+Na]+ 393.98315 183.1
[M-H]- 369.98665 177.8
[M+NH4]+ 389.02775 188.4
[M+K]+ 409.95709 170.7
[M+H-H2O]+ 353.99119 171.2
[M+HCOO]- 415.99213 183.6
[M+CH3COO]- 430.00778 205.6
[M+Na-2H]- 391.96860 172.5
[M]+ 370.99338 189.5
[M]- 370.99448 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe