CID 52228522

1239769-54-0

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NN(C(=O)C=C3)CC(=O)O
InChI
InChI=1S/C16H12N2O3/c19-15-8-7-14(17-18(15)10-16(20)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,20,21)
InChIKey
SOWAWMMWUICAHE-UHFFFAOYSA-N
Compound name
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 162.1
[M+Na]+ 303.07400 171.5
[M-H]- 279.07750 166.2
[M+NH4]+ 298.11860 175.3
[M+K]+ 319.04794 166.2
[M+H-H2O]+ 263.08204 152.8
[M+HCOO]- 325.08298 181.2
[M+CH3COO]- 339.09863 173.4
[M+Na-2H]- 301.05945 168.6
[M]+ 280.08423 163.1
[M]- 280.08533 163.1
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.