CID 481328

1-[3-[benzenesulfonyl(isobutyl)amino]-2-hydroxy-propyl]-n-tert-butyl-imidazole-2-carboxamide

Structural Information

Molecular Formula
C21H32N4O4S
SMILES
CC(C)CN(CC(CN1C=CN=C1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H32N4O4S/c1-16(2)13-25(30(28,29)18-9-7-6-8-10-18)15-17(26)14-24-12-11-22-19(24)20(27)23-21(3,4)5/h6-12,16-17,26H,13-15H2,1-5H3,(H,23,27)
InChIKey
MVVHASRFNHQEHL-UHFFFAOYSA-N
Compound name
1-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butylimidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.21442 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22170 205.0
[M+Na]+ 459.20364 207.3
[M-H]- 435.20714 208.7
[M+NH4]+ 454.24824 213.0
[M+K]+ 475.17758 205.1
[M+H-H2O]+ 419.21168 196.5
[M+HCOO]- 481.21262 216.4
[M+CH3COO]- 495.22827 231.5
[M+Na-2H]- 457.18909 204.1
[M]+ 436.21387 209.5
[M]- 436.21497 209.5
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.