CID 210962

Rmi 60950

Structural Information

Molecular Formula
C25H24N2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC4=CC=CC=C4OC5=CC=CC=C53
InChI
InChI=1S/C25H24N2O/c1-2-8-20(9-3-1)19-26-14-16-27(17-15-26)23-18-21-10-4-6-12-24(21)28-25-13-7-5-11-22(23)25/h1-13,18H,14-17,19H2
InChIKey
DAIFUBZGVLMNNK-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzoxepin-5-yl-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18887 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19615 197.6
[M+Na]+ 391.17809 213.1
[M+NH4]+ 386.22269 206.3
[M+K]+ 407.15203 203.5
[M-H]- 367.18159 206.0
[M+Na-2H]- 389.16354 206.2
[M]+ 368.18832 202.6
[M]- 368.18942 202.6
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.