CID 848604

N-(4-formyl-1,3-thiazol-2-yl)-n-phenylacetamide

Structural Information

Molecular Formula
C12H10N2O2S
SMILES
CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C=O
InChI
InChI=1S/C12H10N2O2S/c1-9(16)14(11-5-3-2-4-6-11)12-13-10(7-15)8-17-12/h2-8H,1H3
InChIKey
UPSVWABECCOHRT-UHFFFAOYSA-N
Compound name
N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.053576 153.9
[M+Na]+ 269.035518 162.2
[M-H]- 245.039024 161.4
[M+NH4]+ 264.080123 172.4
[M+K]+ 285.009458 159.7
[M+H-H2O]+ 229.043560 146.3
[M+HCOO]- 291.044501 174.7
[M+CH3COO]- 305.060151 194.2
[M+Na-2H]- 267.020966 155.4
[M]+ 246.04575142 157.7
[M]- 246.04684858 157.7
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.