CID 5272456

4-thiazolecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-2,5-dimethyl-n-(phenylmethyl)-

Structural Information

Molecular Formula
C24H23N5O2S2
SMILES
CC1=C(N=C(S1)C)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C24H23N5O2S2/c1-15-22(26-16(2)33-15)23(31)29(12-17-6-4-3-5-7-17)13-21(30)27-19-10-8-18(9-11-19)20-14-32-24(25)28-20/h3-11,14H,12-13H2,1-2H3,(H2,25,28)(H,27,30)
InChIKey
RCOXDWDPOJYQBI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1293 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.13658 211.9
[M+Na]+ 500.11852 219.3
[M-H]- 476.12202 224.3
[M+NH4]+ 495.16312 221.1
[M+K]+ 516.09246 212.8
[M+H-H2O]+ 460.12656 203.1
[M+HCOO]- 522.12750 227.6
[M+CH3COO]- 536.14315 220.6
[M+Na-2H]- 498.10397 208.7
[M]+ 477.12875 217.2
[M]- 477.12985 217.2
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.