CID 510491

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

Structural Information

Molecular Formula
C19H20FN5O4S
SMILES
C1COCCN1S(=O)(=O)N2C3=C(C=CC(=C3)C(C4=CC(=CC=C4)F)C(=O)N)N=C2N
InChI
InChI=1S/C19H20FN5O4S/c20-14-3-1-2-12(10-14)17(18(21)26)13-4-5-15-16(11-13)25(19(22)23-15)30(27,28)24-6-8-29-9-7-24/h1-5,10-11,17H,6-9H2,(H2,21,26)(H2,22,23)
InChIKey
YFYVDQZJSRHWNQ-UHFFFAOYSA-N
Compound name
2-(2-amino-3-morpholin-4-ylsulfonylbenzimidazol-5-yl)-2-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12928 197.0
[M+Na]+ 456.11122 204.0
[M-H]- 432.11472 202.7
[M+NH4]+ 451.15582 202.9
[M+K]+ 472.08516 199.6
[M+H-H2O]+ 416.11926 187.2
[M+HCOO]- 478.12020 206.5
[M+CH3COO]- 492.13585 204.6
[M+Na-2H]- 454.09667 197.5
[M]+ 433.12145 195.9
[M]- 433.12255 195.9
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

No patent data available for this compound.