CID 36018

5h-dibenzo(a,d)cyclohepten-10-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, (z)-

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN1CCN(CC1)[C@@H]2[C@@H](C3=CC=CC=C3CC4=CC=CC=C24)O
InChI
InChI=1S/C20H24N2O/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20(19)23/h2-9,19-20,23H,10-14H2,1H3/t19-,20+/m0/s1
InChIKey
YSWABBGYNDOOTR-VQTJNVASSA-N
Compound name
(9R,10S)-10-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.3
[M+Na]+ 331.17809 180.5
[M-H]- 307.18159 180.0
[M+NH4]+ 326.22269 187.9
[M+K]+ 347.15203 178.0
[M+H-H2O]+ 291.18613 166.5
[M+HCOO]- 353.18707 187.3
[M+CH3COO]- 367.20272 183.8
[M+Na-2H]- 329.16354 178.4
[M]+ 308.18832 167.6
[M]- 308.18942 167.6
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.