CID 213137

4-(8-chloro-10,11-dihydrodibenz(b,f)oxepin-10-yl)-1-piperazinepropanol maleate

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
C1CN(CCN1CCCO)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C21H25ClN2O2/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)24-11-9-23(10-12-24)8-3-13-25/h1-2,4-7,15,19,25H,3,8-14H2
InChIKey
FGIGGLBLQMHVDE-UHFFFAOYSA-N
Compound name
3-[4-(3-chloro-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

372.16046 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 191.6
[M+Na]+ 395.14968 204.6
[M+NH4]+ 390.19428 199.3
[M+K]+ 411.12362 196.7
[M-H]- 371.15318 196.6
[M+Na-2H]- 393.13513 196.0
[M]+ 372.15991 195.3
[M]- 372.16101 195.3
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.