CID 3054613

71509-00-7

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)N3C(=CC(=N3)C)C
InChI
InChI=1S/C16H17N3O/c1-10-7-16(19-12(3)8-11(2)18-19)17-15-6-5-13(20-4)9-14(10)15/h5-9H,1-4H3
InChIKey
INKWUKDNGQHKRV-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-6-methoxy-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 162.9
[M+Na]+ 290.126398 175.7
[M-H]- 266.129904 168.2
[M+NH4]+ 285.171003 179.2
[M+K]+ 306.100338 170.4
[M+H-H2O]+ 250.134440 153.9
[M+HCOO]- 312.135381 184.7
[M+CH3COO]- 326.151031 176.0
[M+Na-2H]- 288.111846 167.3
[M]+ 267.13663142 168.5
[M]- 267.13772858 168.5
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.