CID 135465511

Schembl6448989

Structural Information

Molecular Formula
C19H14N4O3
SMILES
CC1=CC(=NN1C2=C(C=CC=N2)[N+](=O)[O-])C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H14N4O3/c1-12-11-15(18-14-6-3-2-5-13(14)8-9-17(18)24)21-22(12)19-16(23(25)26)7-4-10-20-19/h2-11,24H,1H3
InChIKey
YNNIWNLPYCPSIJ-UHFFFAOYSA-N
Compound name
1-[5-methyl-1-(3-nitropyridin-2-yl)pyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.1066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11388 179.4
[M+Na]+ 369.09582 188.5
[M-H]- 345.09932 186.5
[M+NH4]+ 364.14042 189.4
[M+K]+ 385.06976 177.8
[M+H-H2O]+ 329.10386 173.0
[M+HCOO]- 391.10480 200.5
[M+CH3COO]- 405.12045 205.5
[M+Na-2H]- 367.08127 186.4
[M]+ 346.10605 179.7
[M]- 346.10715 179.7
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