CID 3064081

Substanz nr. 341 [german]

Structural Information

Molecular Formula
C34H38N2O2
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)37-27-25-35-21-23-36(24-22-35)26-28-38-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2
InChIKey
OYZBDSAALZWYTR-UHFFFAOYSA-N
Compound name
1,4-bis(2-benzhydryloxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

506.29333 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.30061 227.3
[M+Na]+ 529.28255 224.9
[M-H]- 505.28605 235.8
[M+NH4]+ 524.32715 227.5
[M+K]+ 545.25649 217.3
[M+H-H2O]+ 489.29059 211.0
[M+HCOO]- 551.29153 238.8
[M+CH3COO]- 565.30718 230.2
[M+Na-2H]- 527.26800 225.7
[M]+ 506.29278 222.1
[M]- 506.29388 222.1
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

patents stripe