CID 57002

5h-dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-5-hydroxy-, (1-methyl-3-piperidyl) ester

Structural Information

Molecular Formula
C22H25NO3
SMILES
CN1CCCC(C1)OC(=O)C2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C22H25NO3/c1-23-14-6-9-18(15-23)26-21(24)22(25)19-10-4-2-7-16(19)12-13-17-8-3-5-11-20(17)22/h2-5,7-8,10-11,18,25H,6,9,12-15H2,1H3
InChIKey
KSXVDJKOZRKKQB-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 183.7
[M+Na]+ 374.17266 194.6
[M+NH4]+ 369.21726 192.4
[M+K]+ 390.14660 186.6
[M-H]- 350.17616 187.3
[M+Na-2H]- 372.15811 189.9
[M]+ 351.18289 186.4
[M]- 351.18399 186.4
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.