CID 3065805

Brn 5763773

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCCCC1=C(N(N=C1C)C2=NC3=C(C=C(C=C3)OC)C(=C2)C)C
InChI
InChI=1S/C20H25N3O/c1-6-7-8-17-14(3)22-23(15(17)4)20-11-13(2)18-12-16(24-5)9-10-19(18)21-20/h9-12H,6-8H2,1-5H3
InChIKey
BKBJCVZGVLXXLU-UHFFFAOYSA-N
Compound name
2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-methoxy-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 181.6
[M+Na]+ 346.188988 193.4
[M-H]- 322.192494 186.5
[M+NH4]+ 341.233593 195.8
[M+K]+ 362.162928 187.2
[M+H-H2O]+ 306.197030 172.0
[M+HCOO]- 368.197971 201.9
[M+CH3COO]- 382.213621 214.2
[M+Na-2H]- 344.174436 183.0
[M]+ 323.19922142 188.9
[M]- 323.20031858 188.9
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.