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]+ 319.14748 175.0
[M+Na]+ 341.12942 184.9
[M-H]- 317.13292 183.0
[M+NH4]+ 336.17402 192.0
[M+K]+ 357.10336 180.7
[M+H-H2O]+ 301.13746 167.4
[M+HCOO]- 363.13840 194.9
[M+CH3COO]- 377.15405 212.4
[M+Na-2H]- 339.11487 172.4
[M]+ 318.13965 182.6
[M]- 318.14075 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.