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]+ 268.14446 162.9
[M+Na]+ 290.12640 175.7
[M-H]- 266.12990 168.2
[M+NH4]+ 285.17100 179.2
[M+K]+ 306.10034 170.4
[M+H-H2O]+ 250.13444 153.9
[M+HCOO]- 312.13538 184.7
[M+CH3COO]- 326.15103 176.0
[M+Na-2H]- 288.11185 167.3
[M]+ 267.13663 168.5
[M]- 267.13773 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.