CID 3074206

155346-64-8

Structural Information

Molecular Formula
C24H29N3O3S
SMILES
COC(=O)C1CSCN1C(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3O3S/c1-30-24(29)21-17-31-18-27(21)22(28)16-25-12-14-26(15-13-25)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21,23H,12-18H2,1H3
InChIKey
CXQFDVMXQCZCSD-UHFFFAOYSA-N
Compound name
methyl 3-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.19296 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20024 205.0
[M+Na]+ 462.18218 206.2
[M-H]- 438.18568 211.9
[M+NH4]+ 457.22678 211.1
[M+K]+ 478.15612 201.4
[M+H-H2O]+ 422.19022 193.9
[M+HCOO]- 484.19116 211.7
[M+CH3COO]- 498.20681 210.6
[M+Na-2H]- 460.16763 198.5
[M]+ 439.19241 201.6
[M]- 439.19351 201.6
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.