CID 5272413

Acetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-2-(2,6-dimethylphenoxy)-n-[(2-methylphenyl)methyl]-

Structural Information

Molecular Formula
C29H30N4O3S
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N(CC2=CC=CC=C2C)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C29H30N4O3S/c1-19-7-4-5-10-23(19)15-33(27(35)17-36-28-20(2)8-6-9-21(28)3)16-26(34)31-24-13-11-22(12-14-24)25-18-37-29(30)32-25/h4-14,18H,15-17H2,1-3H3,(H2,30,32)(H,31,34)
InChIKey
LTSGGCRZWIDYKV-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[2-(2,6-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.20386 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.21114 226.8
[M+Na]+ 537.19308 230.6
[M-H]- 513.19658 239.0
[M+NH4]+ 532.23768 232.8
[M+K]+ 553.16702 225.1
[M+H-H2O]+ 497.20112 215.4
[M+HCOO]- 559.20206 244.7
[M+CH3COO]- 573.21771 252.9
[M+Na-2H]- 535.17853 222.6
[M]+ 514.20331 230.9
[M]- 514.20441 230.9
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.