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]+ 322.21654 181.3
[M+Na]+ 344.19848 186.6
[M-H]- 320.20198 187.6
[M+NH4]+ 339.24308 198.2
[M+K]+ 360.17242 182.6
[M+H-H2O]+ 304.20652 173.9
[M+HCOO]- 366.20746 196.0
[M+CH3COO]- 380.22311 190.4
[M+Na-2H]- 342.18393 182.8
[M]+ 321.20871 175.6
[M]- 321.20981 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.