CID 119000

1-(3,3,3-triphenylpropyl)-4-(2-thiazolyl)piperazine dimethanesulfonate

Structural Information

Molecular Formula
C28H29N3S
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CS5
InChI
InChI=1S/C28H29N3S/c1-4-10-24(11-5-1)28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)16-18-30-19-21-31(22-20-30)27-29-17-23-32-27/h1-15,17,23H,16,18-22H2
InChIKey
XEGKDPRUPHXNDC-UHFFFAOYSA-N
Compound name
2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.20822 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.21550 206.2
[M+Na]+ 462.19744 209.7
[M-H]- 438.20094 215.9
[M+NH4]+ 457.24204 212.0
[M+K]+ 478.17138 201.0
[M+H-H2O]+ 422.20548 193.5
[M+HCOO]- 484.20642 216.1
[M+CH3COO]- 498.22207 212.5
[M+Na-2H]- 460.18289 205.5
[M]+ 439.20767 202.0
[M]- 439.20877 202.0
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.