CID 5272303

N-(4-(2-aminothiazol-4-yl)phenyl)-2-(benzyl(methyl)amino)acetamide

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CN(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H20N4OS/c1-23(11-14-5-3-2-4-6-14)12-18(24)21-16-9-7-15(8-10-16)17-13-25-19(20)22-17/h2-10,13H,11-12H2,1H3,(H2,20,22)(H,21,24)
InChIKey
LGKJSEPLKSDDTF-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl(methyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 182.0
[M+Na]+ 375.12499 187.5
[M-H]- 351.12849 191.5
[M+NH4]+ 370.16959 195.0
[M+K]+ 391.09893 182.4
[M+H-H2O]+ 335.13303 172.3
[M+HCOO]- 397.13397 202.8
[M+CH3COO]- 411.14962 220.3
[M+Na-2H]- 373.11044 182.7
[M]+ 352.13522 183.0
[M]- 352.13632 183.0
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.