CID 135465487

Schembl6449879

Structural Information

Molecular Formula
C20H15N3O3
SMILES
CC1=CC(=NN1C2=CC=CC=C2[N+](=O)[O-])C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H15N3O3/c1-13-12-16(20-15-7-3-2-6-14(15)10-11-19(20)24)21-22(13)17-8-4-5-9-18(17)23(25)26/h2-12,24H,1H3
InChIKey
XAYHRUMMUFXJBE-UHFFFAOYSA-N
Compound name
1-[5-methyl-1-(2-nitrophenyl)pyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.11133 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 179.9
[M+Na]+ 368.10055 188.7
[M-H]- 344.10405 188.1
[M+NH4]+ 363.14515 191.4
[M+K]+ 384.07449 178.1
[M+H-H2O]+ 328.10859 174.2
[M+HCOO]- 390.10953 202.0
[M+CH3COO]- 404.12518 205.6
[M+Na-2H]- 366.08600 186.1
[M]+ 345.11078 180.2
[M]- 345.11188 180.2
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

patents stripe