CID 54094

5h-dibenzo(a,d)cyclohepten-5-ol, 5-(2-(diethylamino)-1-methylethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
CCN(CC)CC(C)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
InChI
InChI=1S/C22H27NO/c1-4-23(5-2)16-17(3)22(24)20-12-8-6-10-18(20)14-15-19-11-7-9-13-21(19)22/h6-15,17,24H,4-5,16H2,1-3H3
InChIKey
FSMYQRNSOXEREB-UHFFFAOYSA-N
Compound name
2-[1-(diethylamino)propan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 178.6
[M+Na]+ 344.198478 183.6
[M-H]- 320.201984 184.7
[M+NH4]+ 339.243083 195.8
[M+K]+ 360.172418 183.1
[M+H-H2O]+ 304.206520 172.8
[M+HCOO]- 366.207461 197.1
[M+CH3COO]- 380.223111 215.5
[M+Na-2H]- 342.183926 183.2
[M]+ 321.20871142 177.9
[M]- 321.20980858 177.9
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.