CID 5272294

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 181.2
[M+Na]+ 375.12499 187.5
[M-H]- 351.12849 189.6
[M+NH4]+ 370.16959 193.9
[M+K]+ 391.09893 180.9
[M+H-H2O]+ 335.13303 171.9
[M+HCOO]- 397.13397 201.6
[M+CH3COO]- 411.14962 191.2
[M+Na-2H]- 373.11044 181.9
[M]+ 352.13522 181.4
[M]- 352.13632 181.4
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.