CID 5181087

2-naphthalenol, 1-[(5-methyl-1h-pyrazol-3-yl)azo]-

Structural Information

Molecular Formula
C14H12N4O
SMILES
CC1=CC(=NN1)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C14H12N4O/c1-9-8-13(16-15-9)17-18-14-11-5-3-2-4-10(11)6-7-12(14)19/h2-8,19H,1H3,(H,15,16)
InChIKey
KYYPQOBBHVDITM-UHFFFAOYSA-N
Compound name
1-[(5-methyl-1H-pyrazol-3-yl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1011 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 153.7
[M+Na]+ 275.09032 164.1
[M-H]- 251.09382 160.0
[M+NH4]+ 270.13492 170.7
[M+K]+ 291.06426 158.9
[M+H-H2O]+ 235.09836 144.9
[M+HCOO]- 297.09930 180.1
[M+CH3COO]- 311.11495 166.9
[M+Na-2H]- 273.07577 162.3
[M]+ 252.10055 155.4
[M]- 252.10165 155.4
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.