CID 3056992

5h-dibenzo(a,d)cyclohepten-10-carboxylic acid, 5-oxo-, 3-alpha-tropanyl ester, hydrogen maleate

Structural Information

Molecular Formula
C24H23NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
InChI
InChI=1S/C24H23NO3/c1-25-16-10-11-17(25)14-18(13-16)28-24(27)22-12-15-6-2-3-7-19(15)23(26)21-9-5-4-8-20(21)22/h2-9,12,16-18H,10-11,13-14H2,1H3
InChIKey
BIATYAJUDMOLEE-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.175076 190.3
[M+Na]+ 396.157018 197.5
[M-H]- 372.160524 198.2
[M+NH4]+ 391.201623 205.6
[M+K]+ 412.130958 194.5
[M+H-H2O]+ 356.165060 183.8
[M+HCOO]- 418.166001 204.9
[M+CH3COO]- 432.181651 199.7
[M+Na-2H]- 394.142466 191.7
[M]+ 373.16725142 188.8
[M]- 373.16834858 188.8
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.