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]+ 265.06413 158.7
[M+Na]+ 287.04607 165.4
[M-H]- 263.04957 164.4
[M+NH4]+ 282.09067 175.8
[M+K]+ 303.02001 162.9
[M+H-H2O]+ 247.05411 151.3
[M+HCOO]- 309.05505 176.8
[M+CH3COO]- 323.07070 192.8
[M+Na-2H]- 285.03152 159.1
[M]+ 264.05630 160.4
[M]- 264.05740 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.