CID 494562

3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C19H19NO2
SMILES
C1C=CC2C1CN3CC4CC=CC4C5=C3C2=CC(=C5)C(=O)O
InChI
InChI=1S/C19H19NO2/c21-19(22)13-7-16-14-5-1-3-11(14)9-20-10-12-4-2-6-15(12)17(8-13)18(16)20/h1-2,5-8,11-12,14-15H,3-4,9-10H2,(H,21,22)
InChIKey
IMJRVLOUNFCYRI-UHFFFAOYSA-N
Compound name
1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 167.6
[M+Na]+ 316.13079 174.3
[M-H]- 292.13429 171.0
[M+NH4]+ 311.17539 188.6
[M+K]+ 332.10473 168.2
[M+H-H2O]+ 276.13883 161.2
[M+HCOO]- 338.13977 180.2
[M+CH3COO]- 352.15542 177.7
[M+Na-2H]- 314.11624 168.2
[M]+ 293.14102 165.2
[M]- 293.14212 165.2
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.