CID 5272415

2-thiopheneacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(2-methylphenyl)methyl]-

Structural Information

Molecular Formula
C25H24N4O2S2
SMILES
CC1=CC=CC=C1CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4=CC=CS4
InChI
InChI=1S/C25H24N4O2S2/c1-17-5-2-3-6-19(17)14-29(24(31)13-21-7-4-12-32-21)15-23(30)27-20-10-8-18(9-11-20)22-16-33-25(26)28-22/h2-12,16H,13-15H2,1H3,(H2,26,28)(H,27,30)
InChIKey
BRLQKWDBNSOEQU-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-methylphenyl)methyl]-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.13406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.14134 213.3
[M+Na]+ 499.12328 219.4
[M-H]- 475.12678 226.2
[M+NH4]+ 494.16788 223.5
[M+K]+ 515.09722 212.9
[M+H-H2O]+ 459.13132 204.6
[M+HCOO]- 521.13226 229.7
[M+CH3COO]- 535.14791 221.8
[M+Na-2H]- 497.10873 210.1
[M]+ 476.13351 217.9
[M]- 476.13461 217.9
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.