CID 213133

1-(10,11-dihydro-8-methoxydibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)OC
InChI
InChI=1S/C20H24N2O2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
InChIKey
NKWFDGPIUIVLCG-UHFFFAOYSA-N
Compound name
1-(3-methoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 181.9
[M+Na]+ 347.17300 194.8
[M+NH4]+ 342.21760 189.8
[M+K]+ 363.14694 187.7
[M-H]- 323.17650 187.4
[M+Na-2H]- 345.15845 187.1
[M]+ 324.18323 185.5
[M]- 324.18433 185.5
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.