CID 3074211

155346-69-3

Structural Information

Molecular Formula
C26H32N4O2S
SMILES
C1CN(CCN1CCCN2CC(=O)N3CSCC3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H32N4O2S/c31-24-18-29(26(32)23-19-33-20-30(23)24)13-7-12-27-14-16-28(17-15-27)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23,25H,7,12-20H2
InChIKey
YMBTXTUDWLPOBV-UHFFFAOYSA-N
Compound name
7-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

464.2246 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23188 212.6
[M+Na]+ 487.21382 214.7
[M-H]- 463.21732 218.2
[M+NH4]+ 482.25842 217.3
[M+K]+ 503.18776 207.3
[M+H-H2O]+ 447.22186 200.1
[M+HCOO]- 509.22280 215.8
[M+CH3COO]- 523.23845 216.9
[M+Na-2H]- 485.19927 206.1
[M]+ 464.22405 206.9
[M]- 464.22515 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.