CID 207644

Ag 265

Structural Information

Molecular Formula
C18H24N3O2
SMILES
CC1=CC(=NN(C1=O)CC[N+]2(CCOCC2)C)C3=CC=CC=C3
InChI
InChI=1S/C18H24N3O2/c1-15-14-17(16-6-4-3-5-7-16)19-20(18(15)22)8-9-21(2)10-12-23-13-11-21/h3-7,14H,8-13H2,1-2H3/q+1
InChIKey
WAGBTZCFXADIIQ-UHFFFAOYSA-N
Compound name
4-methyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18686 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19414 176.6
[M+Na]+ 337.17608 183.4
[M-H]- 313.17958 182.6
[M+NH4]+ 332.22068 187.1
[M+K]+ 353.15002 173.9
[M+H-H2O]+ 297.18412 167.7
[M+HCOO]- 359.18506 191.6
[M+CH3COO]- 373.20071 198.7
[M+Na-2H]- 335.16153 183.6
[M]+ 314.18631 173.9
[M]- 314.18741 173.9
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.