CID 213133

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

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]+ 325.191056 177.7
[M+Na]+ 347.172998 183.3
[M-H]- 323.176504 184.2
[M+NH4]+ 342.217603 189.0
[M+K]+ 363.146938 183.1
[M+H-H2O]+ 307.181040 168.3
[M+HCOO]- 369.181981 190.3
[M+CH3COO]- 383.197631 186.7
[M+Na-2H]- 345.158446 181.6
[M]+ 324.18323142 173.5
[M]- 324.18432858 173.5
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.