CID 474485

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

Structural Information

Molecular Formula
C31H36N2O2S
SMILES
CC(C)CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCC(C)C
InChI
InChI=1S/C31H36N2O2S/c1-23(2)18-20-34-28-14-10-26(11-15-28)32-31-33(30(22-36-31)25-8-6-5-7-9-25)27-12-16-29(17-13-27)35-21-19-24(3)4/h5-17,22-24H,18-21H2,1-4H3
InChIKey
XHOMMMPPHGOQTF-UHFFFAOYSA-N
Compound name
N,3-bis[4-(3-methylbutoxy)phenyl]-4-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.24976 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.25704 227.4
[M+Na]+ 523.23898 231.9
[M-H]- 499.24248 239.4
[M+NH4]+ 518.28358 235.0
[M+K]+ 539.21292 225.1
[M+H-H2O]+ 483.24702 215.7
[M+HCOO]- 545.24796 244.1
[M+CH3COO]- 559.26361 245.8
[M+Na-2H]- 521.22443 222.3
[M]+ 500.24921 233.8
[M]- 500.25031 233.8
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.