CID 213492

1-piperazinepropanol, 4-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-, maleate (1:1)

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=CC2=C(C=C1)OC3=CC=CC=C3CC2N4CCN(CC4)CCCO
InChI
InChI=1S/C22H28N2O2/c1-17-7-8-22-19(15-17)20(16-18-5-2-3-6-21(18)26-22)24-12-10-23(11-13-24)9-4-14-25/h2-3,5-8,15,20,25H,4,9-14,16H2,1H3
InChIKey
CQJZXRKHGNPSQT-UHFFFAOYSA-N
Compound name
3-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 190.8
[M+Na]+ 375.20432 202.8
[M+NH4]+ 370.24892 198.1
[M+K]+ 391.17826 195.6
[M-H]- 351.20782 195.8
[M+Na-2H]- 373.18977 194.9
[M]+ 352.21455 194.0
[M]- 352.21565 194.0
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.