CID 5272327

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-2,2-dimethyl-propanamide

Structural Information

Molecular Formula
C23H26N4O2S
SMILES
CC(C)(C)C(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C23H26N4O2S/c1-23(2,3)21(29)27(13-16-7-5-4-6-8-16)14-20(28)25-18-11-9-17(10-12-18)19-15-30-22(24)26-19/h4-12,15H,13-14H2,1-3H3,(H2,24,26)(H,25,28)
InChIKey
BRXLDHCXVUEXMI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17764 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18492 203.3
[M+Na]+ 445.16686 206.9
[M-H]- 421.17036 212.4
[M+NH4]+ 440.21146 213.3
[M+K]+ 461.14080 202.5
[M+H-H2O]+ 405.17490 193.6
[M+HCOO]- 467.17584 220.5
[M+CH3COO]- 481.19149 233.4
[M+Na-2H]- 443.15231 202.3
[M]+ 422.17709 205.0
[M]- 422.17819 205.0
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.