CID 510471

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

Structural Information

Molecular Formula
C18H19FN4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC(=CC=C3)F)C(=O)N)N=C1N
InChI
InChI=1S/C18H19FN4O3S/c1-10(2)27(25,26)23-15-9-12(6-7-14(15)22-18(23)21)16(17(20)24)11-4-3-5-13(19)8-11/h3-10,16H,1-2H3,(H2,20,24)(H2,21,22)
InChIKey
FROICURAQNLUNG-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.11618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12346 189.3
[M+Na]+ 413.10540 198.0
[M-H]- 389.10890 193.3
[M+NH4]+ 408.15000 200.3
[M+K]+ 429.07934 192.8
[M+H-H2O]+ 373.11344 180.7
[M+HCOO]- 435.11438 202.7
[M+CH3COO]- 449.13003 223.7
[M+Na-2H]- 411.09085 188.6
[M]+ 390.11563 191.3
[M]- 390.11673 191.3
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.