CID 4520011

885459-15-4

Structural Information

Molecular Formula
C17H22N2O2S
SMILES
CCOC(=O)CC1=CSC(=NC)N1C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C17H22N2O2S/c1-6-21-15(20)9-14-10-22-17(18-5)19(14)16-12(3)7-11(2)8-13(16)4/h7-8,10H,6,9H2,1-5H3
InChIKey
NMACAWILULBBDK-UHFFFAOYSA-N
Compound name
ethyl 2-[2-methylimino-3-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.147476 175.0
[M+Na]+ 341.129418 184.9
[M-H]- 317.132924 183.0
[M+NH4]+ 336.174023 192.0
[M+K]+ 357.103358 180.7
[M+H-H2O]+ 301.137460 167.4
[M+HCOO]- 363.138401 194.9
[M+CH3COO]- 377.154051 212.4
[M+Na-2H]- 339.114866 172.4
[M]+ 318.13965142 182.6
[M]- 318.14074858 182.6
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.