CID 746803

18239-59-3

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC1=CC(=NN1C2=NC3=C(C=CC=C3O)C=C2)C
InChI
InChI=1S/C14H13N3O/c1-9-8-10(2)17(16-9)13-7-6-11-4-3-5-12(18)14(11)15-13/h3-8,18H,1-2H3
InChIKey
AFJJCCZETFFOJM-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.6
[M+Na]+ 262.09509 170.3
[M+NH4]+ 257.13969 161.9
[M+K]+ 278.06903 164.5
[M-H]- 238.09859 156.9
[M+Na-2H]- 260.08054 162.3
[M]+ 239.10532 157.0
[M]- 239.10642 157.0
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

No patent data available for this compound.