CID 58549

101565-03-1

Structural Information

Molecular Formula
C22H25NO3
SMILES
CN1CCC(CC1)OC(=O)C2(C3=CC=CC=C3CCC4=CC=CC=C42)O
InChI
InChI=1S/C22H25NO3/c1-23-14-12-18(13-15-23)26-21(24)22(25)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)22/h2-9,18,25H,10-15H2,1H3
InChIKey
UMTIHXSMCWCTIP-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-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]+ 352.190716 185.2
[M+Na]+ 374.172658 189.3
[M-H]- 350.176164 190.9
[M+NH4]+ 369.217263 198.8
[M+K]+ 390.146598 188.0
[M+H-H2O]+ 334.180700 177.2
[M+HCOO]- 396.181641 197.3
[M+CH3COO]- 410.197291 193.2
[M+Na-2H]- 372.158106 187.9
[M]+ 351.18289142 178.9
[M]- 351.18398858 178.9
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.