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 174.6
[M+Na]+ 331.17809 180.5
[M-H]- 307.18159 181.2
[M+NH4]+ 326.22269 186.7
[M+K]+ 347.15203 179.5
[M+H-H2O]+ 291.18613 165.4
[M+HCOO]- 353.18707 187.1
[M+CH3COO]- 367.20272 183.8
[M+Na-2H]- 329.16354 178.5
[M]+ 308.18832 169.1
[M]- 308.18942 169.1
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.