CID 460708

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

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
CCOC(=O)NC1=NC(CS1)C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H16N2O3S/c1-3-19-14(18)16-13-15-11(8-20-13)12(17)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,15,16,18)
InChIKey
HXNNHYRWQYWUNY-UHFFFAOYSA-N
Compound name
ethyl 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

292.08817 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09545 167.3
[M+Na]+ 315.07739 174.0
[M-H]- 291.08089 173.0
[M+NH4]+ 310.12199 183.5
[M+K]+ 331.05133 171.0
[M+H-H2O]+ 275.08543 159.8
[M+HCOO]- 337.08637 184.7
[M+CH3COO]- 351.10202 200.0
[M+Na-2H]- 313.06284 166.1
[M]+ 292.08762 170.2
[M]- 292.08872 170.2
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.