CID 2560338

N-{[4-(2-amino-1,3-thiazol-4-yl)phenyl]methyl}acetamide

Structural Information

Molecular Formula
C12H13N3OS
SMILES
CC(=O)NCC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C12H13N3OS/c1-8(16)14-6-9-2-4-10(5-3-9)11-7-17-12(13)15-11/h2-5,7H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKey
HUMWJQXFZYEKTO-UHFFFAOYSA-N
Compound name
N-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.07793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.085206 154.2
[M+Na]+ 270.067148 162.2
[M-H]- 246.070654 159.9
[M+NH4]+ 265.111753 171.9
[M+K]+ 286.041088 157.8
[M+H-H2O]+ 230.075190 146.7
[M+HCOO]- 292.076131 174.4
[M+CH3COO]- 306.091781 195.1
[M+Na-2H]- 268.052596 155.3
[M]+ 247.07738142 154.6
[M]- 247.07847858 154.6
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

patents stripe