CID 474487

N,3-bis(4-isopentyloxyphenyl)-4,5-dimethyl-thiazol-2-imine

Structural Information

Molecular Formula
C27H36N2O2S
SMILES
CC1=C(SC(=NC2=CC=C(C=C2)OCCC(C)C)N1C3=CC=C(C=C3)OCCC(C)C)C
InChI
InChI=1S/C27H36N2O2S/c1-19(2)15-17-30-25-11-7-23(8-12-25)28-27-29(21(5)22(6)32-27)24-9-13-26(14-10-24)31-18-16-20(3)4/h7-14,19-20H,15-18H2,1-6H3
InChIKey
QGAUJWZSKVUFGB-UHFFFAOYSA-N
Compound name
4,5-dimethyl-N,3-bis[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24976 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.25704 215.1
[M+Na]+ 475.23898 221.0
[M-H]- 451.24248 224.8
[M+NH4]+ 470.28358 225.8
[M+K]+ 491.21292 215.4
[M+H-H2O]+ 435.24702 205.0
[M+HCOO]- 497.24796 231.9
[M+CH3COO]- 511.26361 239.7
[M+Na-2H]- 473.22443 209.0
[M]+ 452.24921 223.6
[M]- 452.25031 223.6
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.