CID 213131

Piperazine, 1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methyl-, 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]+ 309.196146 174.6
[M+Na]+ 331.178088 180.5
[M-H]- 307.181594 181.2
[M+NH4]+ 326.222693 186.7
[M+K]+ 347.152028 179.5
[M+H-H2O]+ 291.186130 165.4
[M+HCOO]- 353.187071 187.1
[M+CH3COO]- 367.202721 183.8
[M+Na-2H]- 329.163536 178.5
[M]+ 308.18832142 169.1
[M]- 308.18941858 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.