CID 481330

[(tert-butyl)amino]-n-(1-{2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}-5-methylimidazol-2-yl)carboxamide

Structural Information

Molecular Formula
C22H35N5O4S
SMILES
CC1=CN=C(N1CC(CN(CC(C)C)S(=O)(=O)C2=CC=CC=C2)O)NC(=O)NC(C)(C)C
InChI
InChI=1S/C22H35N5O4S/c1-16(2)13-26(32(30,31)19-10-8-7-9-11-19)14-18(28)15-27-17(3)12-23-20(27)24-21(29)25-22(4,5)6/h7-12,16,18,28H,13-15H2,1-6H3,(H2,23,24,25,29)
InChIKey
WMNKJCGZEOCNLU-UHFFFAOYSA-N
Compound name
1-[1-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-5-methylimidazol-2-yl]-3-tert-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.24097 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.24825 212.3
[M+Na]+ 488.23019 213.9
[M-H]- 464.23369 216.1
[M+NH4]+ 483.27479 219.1
[M+K]+ 504.20413 211.9
[M+H-H2O]+ 448.23823 203.5
[M+HCOO]- 510.23917 224.3
[M+CH3COO]- 524.25482 240.3
[M+Na-2H]- 486.21564 211.3
[M]+ 465.24042 216.6
[M]- 465.24152 216.6
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.