CID 216608

5-(4-methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin di(hydrogen maleate)

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CN1CCN(CC1)C2CCCOC3=C2C=CC(=C3)Cl
InChI
InChI=1S/C15H21ClN2O/c1-17-6-8-18(9-7-17)14-3-2-10-19-15-11-12(16)4-5-13(14)15/h4-5,11,14H,2-3,6-10H2,1H3
InChIKey
HVOXSNPHKJJYJA-UHFFFAOYSA-N
Compound name
1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.5
[M+Na]+ 303.12347 178.6
[M+NH4]+ 298.16807 174.8
[M+K]+ 319.09741 172.0
[M-H]- 279.12697 171.3
[M+Na-2H]- 301.10892 171.7
[M]+ 280.13370 170.0
[M]- 280.13480 170.0
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.