CID 204815

11-(4-methylpiperazino)-6,11-dihydrodibenzo(b,e)oxepin maleate

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN1CCN(CC1)C2C3=CC=CC=C3COC4=CC=CC=C24
InChI
InChI=1S/C19H22N2O/c1-20-10-12-21(13-11-20)19-16-7-3-2-6-15(16)14-22-18-9-5-4-8-17(18)19/h2-9,19H,10-14H2,1H3
InChIKey
JEVVLGHVJYXQPQ-UHFFFAOYSA-N
Compound name
1-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.6
[M+Na]+ 317.16244 175.0
[M-H]- 293.16594 175.9
[M+NH4]+ 312.20704 181.9
[M+K]+ 333.13638 174.0
[M+H-H2O]+ 277.17048 160.4
[M+HCOO]- 339.17142 182.4
[M+CH3COO]- 353.18707 178.9
[M+Na-2H]- 315.14789 174.6
[M]+ 294.17267 163.3
[M]- 294.17377 163.3
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.