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]+ 429.17436 200.8
[M+Na]+ 451.15630 204.9
[M-H]- 427.15980 212.6
[M+NH4]+ 446.20090 210.0
[M+K]+ 467.13024 198.2
[M+H-H2O]+ 411.16434 189.8
[M+HCOO]- 473.16528 220.9
[M+CH3COO]- 487.18093 209.2
[M+Na-2H]- 449.14175 201.4
[M]+ 428.16653 201.2
[M]- 428.16763 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.