CID 474491

N,3-bis(4-allyloxyphenyl)-4-[2-(1-piperidyl)ethyl]thiazol-2-imine

Structural Information

Molecular Formula
C28H33N3O2S
SMILES
C=CCOC1=CC=C(C=C1)N=C2N(C(=CS2)CCN3CCCCC3)C4=CC=C(C=C4)OCC=C
InChI
InChI=1S/C28H33N3O2S/c1-3-20-32-26-12-8-23(9-13-26)29-28-31(24-10-14-27(15-11-24)33-21-4-2)25(22-34-28)16-19-30-17-6-5-7-18-30/h3-4,8-15,22H,1-2,5-7,16-21H2
InChIKey
OWGPSDZEOXZPOB-UHFFFAOYSA-N
Compound name
4-(2-piperidin-1-ylethyl)-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

475.22934 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.23662 218.2
[M+Na]+ 498.21856 222.5
[M-H]- 474.22206 228.1
[M+NH4]+ 493.26316 225.4
[M+K]+ 514.19250 214.1
[M+H-H2O]+ 458.22660 206.1
[M+HCOO]- 520.22754 233.0
[M+CH3COO]- 534.24319 238.0
[M+Na-2H]- 496.20401 213.8
[M]+ 475.22879 219.8
[M]- 475.22989 219.8
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.