CID 15956865

5-(2-naphthyl)-1-(3-nitro-2-pyridyl)pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C19H12N4O4
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=NN3C4=C(C=CC=N4)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C19H12N4O4/c24-19(25)15-11-17(14-8-7-12-4-1-2-5-13(12)10-14)22(21-15)18-16(23(26)27)6-3-9-20-18/h1-11H,(H,24,25)
InChIKey
WMPGQDSSBQRZLP-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-1-(3-nitropyridin-2-yl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.08585 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09313 180.0
[M+Na]+ 383.07507 187.8
[M-H]- 359.07857 186.9
[M+NH4]+ 378.11967 188.9
[M+K]+ 399.04901 177.9
[M+H-H2O]+ 343.08311 173.5
[M+HCOO]- 405.08405 200.4
[M+CH3COO]- 419.09970 206.4
[M+Na-2H]- 381.06052 187.0
[M]+ 360.08530 180.0
[M]- 360.08640 180.0
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

patents stripe