CID 54096

10,11-dihydro-5-(2-(diethylamino)-1-methylethyl)-5h-dibenzo(a,d)cyclohepten-5-ol hcl

Structural Information

Molecular Formula
C22H29NO
SMILES
CCN(CC)CC(C)C1(C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C22H29NO/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/h6-13,17,24H,4-5,14-16H2,1-3H3
InChIKey
IJEZTUFCPAWGPP-UHFFFAOYSA-N
Compound name
2-[1-(diethylamino)propan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 179.1
[M+Na]+ 346.21412 183.1
[M-H]- 322.21762 184.8
[M+NH4]+ 341.25872 196.1
[M+K]+ 362.18806 182.6
[M+H-H2O]+ 306.22216 173.3
[M+HCOO]- 368.22310 196.3
[M+CH3COO]- 382.23875 215.8
[M+Na-2H]- 344.19957 182.8
[M]+ 323.22435 177.0
[M]- 323.22545 177.0
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.