CID 5272563

N-[2-(dibenzylamino)-2-oxo-ethyl]-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C26H23N3O2S
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C4=CSC=N4
InChI
InChI=1S/C26H23N3O2S/c30-25(15-27-26(31)23-13-11-22(12-14-23)24-18-32-19-28-24)29(16-20-7-3-1-4-8-20)17-21-9-5-2-6-10-21/h1-14,18-19H,15-17H2,(H,27,31)
InChIKey
QXMIBMPZDVSAML-UHFFFAOYSA-N
Compound name
N-[2-(dibenzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1511 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15838 206.5
[M+Na]+ 464.14032 209.8
[M-H]- 440.14382 218.4
[M+NH4]+ 459.18492 215.2
[M+K]+ 480.11426 204.0
[M+H-H2O]+ 424.14836 195.4
[M+HCOO]- 486.14930 225.2
[M+CH3COO]- 500.16495 214.6
[M+Na-2H]- 462.12577 206.2
[M]+ 441.15055 208.3
[M]- 441.15165 208.3
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.