CID 215322

35451-75-3

Structural Information

Molecular Formula
C17H22N3O
SMILES
C[N+]1(CCCCC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N3O/c1-20(12-6-3-7-13-20)14-19-17(21)11-10-16(18-19)15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-14H2,1H3/q+1
InChIKey
QUAGPXRWVGYKDG-UHFFFAOYSA-N
Compound name
2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18358 169.1
[M+Na]+ 307.16552 175.3
[M-H]- 283.16902 174.2
[M+NH4]+ 302.21012 181.8
[M+K]+ 323.13946 164.4
[M+H-H2O]+ 267.17356 160.3
[M+HCOO]- 329.17450 185.2
[M+CH3COO]- 343.19015 192.6
[M+Na-2H]- 305.15097 176.6
[M]+ 284.17575 163.6
[M]- 284.17685 163.6
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.