CID 5709072

3-phenylcinnoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=N2)C(=O)O
InChI
InChI=1S/C15H10N2O2/c18-15(19)13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChIKey
UGJHDXUWDLKCDG-UHFFFAOYSA-N
Compound name
3-phenylcinnoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

250.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 154.8
[M+Na]+ 273.06345 163.7
[M-H]- 249.06695 158.7
[M+NH4]+ 268.10805 169.1
[M+K]+ 289.03739 158.5
[M+H-H2O]+ 233.07149 145.8
[M+HCOO]- 295.07243 174.0
[M+CH3COO]- 309.08808 166.4
[M+Na-2H]- 271.04890 162.6
[M]+ 250.07368 154.3
[M]- 250.07478 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe