CID 5272319

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-thiophene-2-carboxamide

Structural Information

Molecular Formula
C23H20N4O2S2
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=CS4
InChI
InChI=1S/C23H20N4O2S2/c24-23-26-19(15-31-23)17-8-10-18(11-9-17)25-21(28)14-27(13-16-5-2-1-3-6-16)22(29)20-7-4-12-30-20/h1-12,15H,13-14H2,(H2,24,26)(H,25,28)
InChIKey
NENFSNCWTZXSAS-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.10278 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11006 204.5
[M+Na]+ 471.09200 211.0
[M-H]- 447.09550 217.5
[M+NH4]+ 466.13660 215.6
[M+K]+ 487.06594 204.8
[M+H-H2O]+ 431.10004 196.0
[M+HCOO]- 493.10098 221.8
[M+CH3COO]- 507.11663 213.7
[M+Na-2H]- 469.07745 202.9
[M]+ 448.10223 208.2
[M]- 448.10333 208.2
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.