CID 34886

30321-83-6

Structural Information

Molecular Formula
C16H22N3O
SMILES
CC1=CC(=NN(C1=O)CC[N+](C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H22N3O/c1-13-12-15(14-8-6-5-7-9-14)17-18(16(13)20)10-11-19(2,3)4/h5-9,12H,10-11H2,1-4H3/q+1
InChIKey
MQRWURXCJRZSRY-UHFFFAOYSA-N
Compound name
trimethyl-[2-(5-methyl-6-oxo-3-phenylpyridazin-1-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1763 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18358 163.9
[M+Na]+ 295.16552 172.4
[M-H]- 271.16902 170.0
[M+NH4]+ 290.21012 178.3
[M+K]+ 311.13946 163.1
[M+H-H2O]+ 255.17356 157.6
[M+HCOO]- 317.17450 185.7
[M+CH3COO]- 331.19015 199.0
[M+Na-2H]- 293.15097 173.0
[M]+ 272.17575 165.4
[M]- 272.17685 165.4
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.