CID 3087861

1-(2-(benzhydryloxy)ethyl)-4-(2-(phthalimido)ethyl)piperazine dimethanesulfonate

Structural Information

Molecular Formula
C29H31N3O3
SMILES
C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)CCOC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H31N3O3/c33-28-25-13-7-8-14-26(25)29(34)32(28)20-19-30-15-17-31(18-16-30)21-22-35-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,27H,15-22H2
InChIKey
YHUYVYZMHNRGAM-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

469.23654 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.24382 217.0
[M+Na]+ 492.22576 219.4
[M-H]- 468.22926 224.5
[M+NH4]+ 487.27036 221.7
[M+K]+ 508.19970 212.1
[M+H-H2O]+ 452.23380 202.8
[M+HCOO]- 514.23474 228.8
[M+CH3COO]- 528.25039 222.2
[M+Na-2H]- 490.21121 213.5
[M]+ 469.23599 214.1
[M]- 469.23709 214.1
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

patents stripe