CID 5272427

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[benzyl(benzylsulfamoyl)amino]acetamide

Structural Information

Molecular Formula
C25H25N5O3S2
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H25N5O3S2/c26-25-29-23(18-34-25)21-11-13-22(14-12-21)28-24(31)17-30(16-20-9-5-2-6-10-20)35(32,33)27-15-19-7-3-1-4-8-19/h1-14,18,27H,15-17H2,(H2,26,29)(H,28,31)
InChIKey
BHCSLZZIZYFVMJ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl(benzylsulfamoyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.1399 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.14718 214.1
[M+Na]+ 530.12912 217.6
[M-H]- 506.13262 225.0
[M+NH4]+ 525.17372 219.8
[M+K]+ 546.10306 210.7
[M+H-H2O]+ 490.13716 203.9
[M+HCOO]- 552.13810 228.9
[M+CH3COO]- 566.15375 245.9
[M+Na-2H]- 528.11457 217.5
[M]+ 507.13935 215.5
[M]- 507.14045 215.5
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.