CID 54098

10,11-dihydro-5-(1-methyl-2-(pyrrolidinyl)ethyl)-5h-dibenzo(a,d)cyclohepten-5-ol hbr

Structural Information

Molecular Formula
C22H27NO
SMILES
CN1CCCC1CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C22H27NO/c1-23-16-6-9-19(23)14-15-22(24)20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-5,7-8,10-11,19,24H,6,9,12-16H2,1H3
InChIKey
ARYYLQUGRJYAHD-UHFFFAOYSA-N
Compound name
2-[2-(1-methylpyrrolidin-2-yl)ethyl]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

321.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 181.3
[M+Na]+ 344.198478 186.6
[M-H]- 320.201984 187.6
[M+NH4]+ 339.243083 198.2
[M+K]+ 360.172418 182.6
[M+H-H2O]+ 304.206520 173.9
[M+HCOO]- 366.207461 196.0
[M+CH3COO]- 380.223111 190.4
[M+Na-2H]- 342.183926 182.8
[M]+ 321.20871142 175.6
[M]- 321.20980858 175.6
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.