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]+ 247.05358 153.9
[M+Na]+ 269.03552 162.2
[M-H]- 245.03902 161.4
[M+NH4]+ 264.08012 172.4
[M+K]+ 285.00946 159.7
[M+H-H2O]+ 229.04356 146.3
[M+HCOO]- 291.04450 174.7
[M+CH3COO]- 305.06015 194.2
[M+Na-2H]- 267.02097 155.4
[M]+ 246.04575 157.7
[M]- 246.04685 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.