CID 5272403

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

Structural Information

Molecular Formula
C23H21N5O2S2
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4=CSC=N4
InChI
InChI=1S/C23H21N5O2S2/c24-23-27-20(14-32-23)17-6-8-18(9-7-17)26-21(29)12-28(11-16-4-2-1-3-5-16)22(30)10-19-13-31-15-25-19/h1-9,13-15H,10-12H2,(H2,24,27)(H,26,29)
InChIKey
HGAJHUAUADFFGE-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2-(1,3-thiazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.11368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12096 205.8
[M+Na]+ 486.10290 212.2
[M-H]- 462.10640 217.7
[M+NH4]+ 481.14750 215.1
[M+K]+ 502.07684 205.9
[M+H-H2O]+ 446.11094 196.8
[M+HCOO]- 508.11188 222.0
[M+CH3COO]- 522.12753 214.4
[M+Na-2H]- 484.08835 204.5
[M]+ 463.11313 209.9
[M]- 463.11423 209.9
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.