CID 5272304

N-[4-(2-aminothiazol-4-yl)phenyl]-2-(dibenzylamino)acetamide

Structural Information

Molecular Formula
C25H24N4OS
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H24N4OS/c26-25-28-23(18-31-25)21-11-13-22(14-12-21)27-24(30)17-29(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H2,26,28)(H,27,30)
InChIKey
RYTPCABRXDNJSY-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(dibenzylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.16708 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.174356 200.8
[M+Na]+ 451.156298 204.9
[M-H]- 427.159804 212.6
[M+NH4]+ 446.200903 210.0
[M+K]+ 467.130238 198.2
[M+H-H2O]+ 411.164340 189.8
[M+HCOO]- 473.165281 220.9
[M+CH3COO]- 487.180931 209.2
[M+Na-2H]- 449.141746 201.4
[M]+ 428.16653142 201.2
[M]- 428.16762858 201.2
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.