CID 474489

4-methyl-n,3-bis[4-(3-methylpentoxy)phenyl]thiazol-2-imine

Structural Information

Molecular Formula
C28H38N2O2S
SMILES
CCC(C)CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C)C3=CC=C(C=C3)OCCC(C)CC
InChI
InChI=1S/C28H38N2O2S/c1-6-21(3)16-18-31-26-12-8-24(9-13-26)29-28-30(23(5)20-33-28)25-10-14-27(15-11-25)32-19-17-22(4)7-2/h8-15,20-22H,6-7,16-19H2,1-5H3
InChIKey
BQPGVYMOTFWTKW-UHFFFAOYSA-N
Compound name
4-methyl-N,3-bis[4-(3-methylpentoxy)phenyl]-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2654 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.27268 219.6
[M+Na]+ 489.25462 224.1
[M-H]- 465.25812 228.6
[M+NH4]+ 484.29922 229.3
[M+K]+ 505.22856 218.2
[M+H-H2O]+ 449.26266 209.0
[M+HCOO]- 511.26360 236.0
[M+CH3COO]- 525.27925 241.3
[M+Na-2H]- 487.24007 213.6
[M]+ 466.26485 227.9
[M]- 466.26595 227.9
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.