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]+ 253.108376 153.7
[M+Na]+ 275.090318 164.1
[M-H]- 251.093824 160.0
[M+NH4]+ 270.134923 170.7
[M+K]+ 291.064258 158.9
[M+H-H2O]+ 235.098360 144.9
[M+HCOO]- 297.099301 180.1
[M+CH3COO]- 311.114951 166.9
[M+Na-2H]- 273.075766 162.3
[M]+ 252.10055142 155.4
[M]- 252.10164858 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.