CID 5272400

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-2-(2-thienyl)acetamide

Structural Information

Molecular Formula
C24H22N4O2S2
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4=CC=CS4
InChI
InChI=1S/C24H22N4O2S2/c25-24-27-21(16-32-24)18-8-10-19(11-9-18)26-22(29)15-28(14-17-5-2-1-3-6-17)23(30)13-20-7-4-12-31-20/h1-12,16H,13-15H2,(H2,25,27)(H,26,29)
InChIKey
ANQHPIWAAAHJGL-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1184 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12568 208.4
[M+Na]+ 485.10762 214.4
[M-H]- 461.11112 221.2
[M+NH4]+ 480.15222 218.9
[M+K]+ 501.08156 208.0
[M+H-H2O]+ 445.11566 199.7
[M+HCOO]- 507.11660 225.3
[M+CH3COO]- 521.13225 217.1
[M+Na-2H]- 483.09307 206.4
[M]+ 462.11785 212.4
[M]- 462.11895 212.4
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.