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 174.5
[M+Na]+ 317.16244 187.7
[M+NH4]+ 312.20704 183.1
[M+K]+ 333.13638 180.2
[M-H]- 293.16594 180.4
[M+Na-2H]- 315.14789 180.5
[M]+ 294.17267 178.2
[M]- 294.17377 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.