CID 5272455

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

Structural Information

Molecular Formula
C23H21N5O2S2
SMILES
CC1=NC(=CS1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C23H21N5O2S2/c1-15-25-20(14-31-15)22(30)28(11-16-5-3-2-4-6-16)12-21(29)26-18-9-7-17(8-10-18)19-13-32-23(24)27-19/h2-10,13-14H,11-12H2,1H3,(H2,24,27)(H,26,29)
InChIKey
RUONGWROTRPABD-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2-methyl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.11368 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12096 207.0
[M+Na]+ 486.10290 214.2
[M-H]- 462.10640 219.2
[M+NH4]+ 481.14750 216.5
[M+K]+ 502.07684 207.8
[M+H-H2O]+ 446.11094 198.2
[M+HCOO]- 508.11188 223.1
[M+CH3COO]- 522.12753 215.9
[M+Na-2H]- 484.08835 205.0
[M]+ 463.11313 211.6
[M]- 463.11423 211.6
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.