CID 510490

2-(2-amino-3-pyrrolidin-1-ylsulfonyl-benzimidazol-5-yl)-2-(3-fluorophenyl)-n-methyl-acetamide

Structural Information

Molecular Formula
C20H22FN5O3S
SMILES
CNC(=O)C(C1=CC(=CC=C1)F)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)N4CCCC4)N
InChI
InChI=1S/C20H22FN5O3S/c1-23-19(27)18(13-5-4-6-15(21)11-13)14-7-8-16-17(12-14)26(20(22)24-16)30(28,29)25-9-2-3-10-25/h4-8,11-12,18H,2-3,9-10H2,1H3,(H2,22,24)(H,23,27)
InChIKey
ZEBXGWVPPORYRL-UHFFFAOYSA-N
Compound name
2-(2-amino-3-pyrrolidin-1-ylsulfonylbenzimidazol-5-yl)-2-(3-fluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.14273 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15001 198.3
[M+Na]+ 454.13195 205.9
[M-H]- 430.13545 204.8
[M+NH4]+ 449.17655 208.2
[M+K]+ 470.10589 200.6
[M+H-H2O]+ 414.13999 189.5
[M+HCOO]- 476.14093 211.2
[M+CH3COO]- 490.15658 227.9
[M+Na-2H]- 452.11740 196.9
[M]+ 431.14218 199.1
[M]- 431.14328 199.1
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

No patent data available for this compound.