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]+ 322.21654 178.6
[M+Na]+ 344.19848 183.6
[M-H]- 320.20198 184.7
[M+NH4]+ 339.24308 195.8
[M+K]+ 360.17242 183.1
[M+H-H2O]+ 304.20652 172.8
[M+HCOO]- 366.20746 197.1
[M+CH3COO]- 380.22311 215.5
[M+Na-2H]- 342.18393 183.2
[M]+ 321.20871 177.9
[M]- 321.20981 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.