CID 474486

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

Structural Information

Molecular Formula
C32H45N3O2S
SMILES
CC(C)CCOC1=CC=C(C=C1)N=C2N(C(=CS2)CCN3CCCCC3)C4=CC=C(C=C4)OCCC(C)C
InChI
InChI=1S/C32H45N3O2S/c1-25(2)17-22-36-30-12-8-27(9-13-30)33-32-35(28-10-14-31(15-11-28)37-23-18-26(3)4)29(24-38-32)16-21-34-19-6-5-7-20-34/h8-15,24-26H,5-7,16-23H2,1-4H3
InChIKey
MTDJJPSDGYMNNE-UHFFFAOYSA-N
Compound name
N,3-bis[4-(3-methylbutoxy)phenyl]-4-(2-piperidin-1-ylethyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.32324 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.33052 235.2
[M+Na]+ 558.31246 236.1
[M-H]- 534.31596 244.4
[M+NH4]+ 553.35706 239.8
[M+K]+ 574.28640 229.5
[M+H-H2O]+ 518.32050 222.7
[M+HCOO]- 580.32144 246.1
[M+CH3COO]- 594.33709 252.2
[M+Na-2H]- 556.29791 227.2
[M]+ 535.32269 238.3
[M]- 535.32379 238.3
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.