CID 5272293

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

Structural Information

Molecular Formula
C18H17ClN4OS
SMILES
C1=CC(=CC=C1CNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)Cl
InChI
InChI=1S/C18H17ClN4OS/c19-14-5-1-12(2-6-14)9-21-10-17(24)22-15-7-3-13(4-8-15)16-11-25-18(20)23-16/h1-8,11,21H,9-10H2,(H2,20,23)(H,22,24)
InChIKey
WGJUXSRFYANGDM-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[(4-chlorophenyl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08115 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08843 184.6
[M+Na]+ 395.07037 192.0
[M-H]- 371.07387 193.1
[M+NH4]+ 390.11497 197.5
[M+K]+ 411.04431 184.3
[M+H-H2O]+ 355.07841 176.2
[M+HCOO]- 417.07935 200.8
[M+CH3COO]- 431.09500 194.6
[M+Na-2H]- 393.05582 185.3
[M]+ 372.08060 186.8
[M]- 372.08170 186.8
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.