CID 213131

1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate (1:2)

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1=CC2=C(C=C1)OC3=CC=CC=C3CC2N4CCN(CC4)C
InChI
InChI=1S/C20H24N2O/c1-15-7-8-20-17(13-15)18(22-11-9-21(2)10-12-22)14-16-5-3-4-6-19(16)23-20/h3-8,13,18H,9-12,14H2,1-2H3
InChIKey
YGURNDNPRHYPIY-UHFFFAOYSA-N
Compound name
1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 178.9
[M+Na]+ 331.17809 192.2
[M+NH4]+ 326.22269 187.4
[M+K]+ 347.15203 184.7
[M-H]- 307.18159 184.8
[M+Na-2H]- 329.16354 184.5
[M]+ 308.18832 182.7
[M]- 308.18942 182.7
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.