CID 5272569

4-(2-aminothiazol-4-yl)-n,n-dibenzyl-benzamide

Structural Information

Molecular Formula
C24H21N3OS
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C24H21N3OS/c25-24-26-22(17-29-24)20-11-13-21(14-12-20)23(28)27(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H2,25,26)
InChIKey
VYYKTDDRZPGQRV-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N,N-dibenzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14053 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14781 195.5
[M+Na]+ 422.12975 201.1
[M-H]- 398.13325 207.7
[M+NH4]+ 417.17435 206.4
[M+K]+ 438.10369 194.5
[M+H-H2O]+ 382.13779 185.0
[M+HCOO]- 444.13873 215.0
[M+CH3COO]- 458.15438 204.9
[M+Na-2H]- 420.11520 195.3
[M]+ 399.13998 196.3
[M]- 399.14108 196.3
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.