CID 460704

Methyl n-(4-benzoyl-4,5-dihydrothiazol-2-yl)carbamate

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
COC(=O)NC1=NC(CS1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O3S/c1-17-12(16)14-11-13-9(7-18-11)10(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14,16)
InChIKey
GJJPSNOVYQNZDO-UHFFFAOYSA-N
Compound name
methyl N-(4-benzoyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.064126 158.7
[M+Na]+ 287.046068 165.4
[M-H]- 263.049574 164.4
[M+NH4]+ 282.090673 175.8
[M+K]+ 303.020008 162.9
[M+H-H2O]+ 247.054110 151.3
[M+HCOO]- 309.055051 176.8
[M+CH3COO]- 323.070701 192.8
[M+Na-2H]- 285.031516 159.1
[M]+ 264.05630142 160.4
[M]- 264.05739858 160.4
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.