CID 5272412

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

Structural Information

Molecular Formula
C24H22N4O2S2
SMILES
CC1=CC=CC=C1CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=CS4
InChI
InChI=1S/C24H22N4O2S2/c1-16-5-2-3-6-18(16)13-28(23(30)21-7-4-12-31-21)14-22(29)26-19-10-8-17(9-11-19)20-15-32-24(25)27-20/h2-12,15H,13-14H2,1H3,(H2,25,27)(H,26,29)
InChIKey
DLRJDONEPUPHCM-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12568 209.4
[M+Na]+ 485.10762 216.0
[M-H]- 461.11112 222.5
[M+NH4]+ 480.15222 220.2
[M+K]+ 501.08156 209.7
[M+H-H2O]+ 445.11566 200.9
[M+HCOO]- 507.11660 226.2
[M+CH3COO]- 521.13225 218.4
[M+Na-2H]- 483.09307 206.7
[M]+ 462.11785 213.8
[M]- 462.11895 213.8
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.