CID 474484

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

Structural Information

Molecular Formula
C26H34N2O2S
SMILES
CC1=CSC(=NC2=CC=C(C=C2)OCCC(C)C)N1C3=CC=C(C=C3)OCCC(C)C
InChI
InChI=1S/C26H34N2O2S/c1-19(2)14-16-29-24-10-6-22(7-11-24)27-26-28(21(5)18-31-26)23-8-12-25(13-9-23)30-17-15-20(3)4/h6-13,18-20H,14-17H2,1-5H3
InChIKey
VLYICKIHAFZPPP-UHFFFAOYSA-N
Compound name
4-methyl-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

438.2341 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.24138 210.9
[M+Na]+ 461.22332 216.5
[M-H]- 437.22682 220.5
[M+NH4]+ 456.26792 221.9
[M+K]+ 477.19726 211.0
[M+H-H2O]+ 421.23136 200.8
[M+HCOO]- 483.23230 228.1
[M+CH3COO]- 497.24795 235.6
[M+Na-2H]- 459.20877 205.9
[M]+ 438.23355 218.7
[M]- 438.23465 218.7
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.