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

2
Patents

247.07793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 154.2
[M+Na]+ 270.06715 162.2
[M-H]- 246.07065 159.9
[M+NH4]+ 265.11175 171.9
[M+K]+ 286.04109 157.8
[M+H-H2O]+ 230.07519 146.7
[M+HCOO]- 292.07613 174.4
[M+CH3COO]- 306.09178 195.1
[M+Na-2H]- 268.05260 155.3
[M]+ 247.07738 154.6
[M]- 247.07848 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