CID 494562

Nsc627021

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]+ 294.148846 167.6
[M+Na]+ 316.130788 174.3
[M-H]- 292.134294 171.0
[M+NH4]+ 311.175393 188.6
[M+K]+ 332.104728 168.2
[M+H-H2O]+ 276.138830 161.2
[M+HCOO]- 338.139771 180.2
[M+CH3COO]- 352.155421 177.7
[M+Na-2H]- 314.116236 168.2
[M]+ 293.14102142 165.2
[M]- 293.14211858 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.