CID 3056992

3-alpha-tropanyl 5-oxo-5h-dibenzo(a,d)cyclohepten-10-carboxylate 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]+ 374.17508 190.3
[M+Na]+ 396.15702 197.5
[M-H]- 372.16052 198.2
[M+NH4]+ 391.20162 205.6
[M+K]+ 412.13096 194.5
[M+H-H2O]+ 356.16506 183.8
[M+HCOO]- 418.16600 204.9
[M+CH3COO]- 432.18165 199.7
[M+Na-2H]- 394.14247 191.7
[M]+ 373.16725 188.8
[M]- 373.16835 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.