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 153.8
[M+Na]+ 262.09509 166.1
[M-H]- 238.09859 157.7
[M+NH4]+ 257.13969 170.2
[M+K]+ 278.06903 160.4
[M+H-H2O]+ 222.10313 145.3
[M+HCOO]- 284.10407 174.9
[M+CH3COO]- 298.11972 166.8
[M+Na-2H]- 260.08054 159.6
[M]+ 239.10532 156.6
[M]- 239.10642 156.6
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.