CID 460825

Methyl n-[4-(4-methylbenzoyl)-4,5-dihydrothiazol-2-yl]carbamate

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CC1=CC=C(C=C1)C(=O)C2CSC(=N2)NC(=O)OC
InChI
InChI=1S/C13H14N2O3S/c1-8-3-5-9(6-4-8)11(16)10-7-19-12(14-10)15-13(17)18-2/h3-6,10H,7H2,1-2H3,(H,14,15,17)
InChIKey
VIZRQTFDFMNHDT-UHFFFAOYSA-N
Compound name
methyl N-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0725 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 162.9
[M+Na]+ 301.06172 170.0
[M-H]- 277.06522 168.8
[M+NH4]+ 296.10632 179.7
[M+K]+ 317.03566 167.2
[M+H-H2O]+ 261.06976 155.6
[M+HCOO]- 323.07070 180.6
[M+CH3COO]- 337.08635 197.0
[M+Na-2H]- 299.04717 162.1
[M]+ 278.07195 165.4
[M]- 278.07305 165.4
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.