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]+ 309.196146 175.3
[M+Na]+ 331.178088 180.5
[M-H]- 307.181594 180.0
[M+NH4]+ 326.222693 187.9
[M+K]+ 347.152028 178.0
[M+H-H2O]+ 291.186130 166.5
[M+HCOO]- 353.187071 187.3
[M+CH3COO]- 367.202721 183.8
[M+Na-2H]- 329.163536 178.4
[M]+ 308.18832142 167.6
[M]- 308.18941858 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.