CID 474490

N,3-bis(4-allyloxyphenyl)-4-methyl-thiazol-2-imine

Structural Information

Molecular Formula
C22H22N2O2S
SMILES
CC1=CSC(=NC2=CC=C(C=C2)OCC=C)N1C3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C22H22N2O2S/c1-4-14-25-20-10-6-18(7-11-20)23-22-24(17(3)16-27-22)19-8-12-21(13-9-19)26-15-5-2/h4-13,16H,1-2,14-15H2,3H3
InChIKey
KDEXEFGUDPAHIS-UHFFFAOYSA-N
Compound name
4-methyl-N,3-bis(4-prop-2-enoxyphenyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14748 192.0
[M+Na]+ 401.12942 200.9
[M-H]- 377.13292 202.3
[M+NH4]+ 396.17402 205.6
[M+K]+ 417.10336 193.8
[M+H-H2O]+ 361.13746 182.5
[M+HCOO]- 423.13840 213.1
[M+CH3COO]- 437.15405 220.9
[M+Na-2H]- 399.11487 190.9
[M]+ 378.13965 198.2
[M]- 378.14075 198.2
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.