CID 474482

4-[2-(1-piperidyl)ethyl]-n,3-bis(4-propylphenyl)thiazol-2-imine

Structural Information

Molecular Formula
C28H37N3S
SMILES
CCCC1=CC=C(C=C1)N=C2N(C(=CS2)CCN3CCCCC3)C4=CC=C(C=C4)CCC
InChI
InChI=1S/C28H37N3S/c1-3-8-23-10-14-25(15-11-23)29-28-31(26-16-12-24(9-4-2)13-17-26)27(22-32-28)18-21-30-19-6-5-7-20-30/h10-17,22H,3-9,18-21H2,1-2H3
InChIKey
QSFNJAIBLDHKGT-UHFFFAOYSA-N
Compound name
4-(2-piperidin-1-ylethyl)-N,3-bis(4-propylphenyl)-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.2708 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.27808 212.6
[M+Na]+ 470.26002 216.9
[M-H]- 446.26352 222.5
[M+NH4]+ 465.30462 221.5
[M+K]+ 486.23396 208.4
[M+H-H2O]+ 430.26806 200.6
[M+HCOO]- 492.26900 226.7
[M+CH3COO]- 506.28465 219.8
[M+Na-2H]- 468.24547 207.8
[M]+ 447.27025 213.0
[M]- 447.27135 213.0
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.