CID 510489

2-(2-amino-3-morpholinosulfonyl-benzimidazol-5-yl)-2-(3-fluorophenyl)-n-methyl-acetamide

Structural Information

Molecular Formula
C20H22FN5O4S
SMILES
CNC(=O)C(C1=CC(=CC=C1)F)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)N4CCOCC4)N
InChI
InChI=1S/C20H22FN5O4S/c1-23-19(27)18(13-3-2-4-15(21)11-13)14-5-6-16-17(12-14)26(20(22)24-16)31(28,29)25-7-9-30-10-8-25/h2-6,11-12,18H,7-10H2,1H3,(H2,22,24)(H,23,27)
InChIKey
YHZGAPQQLHZXOF-UHFFFAOYSA-N
Compound name
2-(2-amino-3-morpholin-4-ylsulfonylbenzimidazol-5-yl)-2-(3-fluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.13766 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.14494 201.3
[M+Na]+ 470.12688 207.9
[M-H]- 446.13038 207.3
[M+NH4]+ 465.17148 206.9
[M+K]+ 486.10082 203.6
[M+H-H2O]+ 430.13492 191.2
[M+HCOO]- 492.13586 211.1
[M+CH3COO]- 506.15151 231.3
[M+Na-2H]- 468.11233 202.2
[M]+ 447.13711 201.3
[M]- 447.13821 201.3
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

No patent data available for this compound.