CID 5272506

N-benzyl-n-[2-[4-(2-isopropylthiazol-4-yl)anilino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C28H27N3O2S
SMILES
CC(C)C1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H27N3O2S/c1-20(2)27-30-25(19-34-27)22-13-15-24(16-14-22)29-26(32)18-31(17-21-9-5-3-6-10-21)28(33)23-11-7-4-8-12-23/h3-16,19-20H,17-18H2,1-2H3,(H,29,32)
InChIKey
CPLPBLKGIQDHJO-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-oxo-2-[4-(2-propan-2-yl-1,3-thiazol-4-yl)anilino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1824 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18968 215.5
[M+Na]+ 492.17162 218.3
[M-H]- 468.17512 227.5
[M+NH4]+ 487.21622 223.3
[M+K]+ 508.14556 212.8
[M+H-H2O]+ 452.17966 204.4
[M+HCOO]- 514.18060 232.5
[M+CH3COO]- 528.19625 222.9
[M+Na-2H]- 490.15707 212.6
[M]+ 469.18185 217.9
[M]- 469.18295 217.9
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.