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]+ 273.183576 163.9
[M+Na]+ 295.165518 172.4
[M-H]- 271.169024 170.0
[M+NH4]+ 290.210123 178.3
[M+K]+ 311.139458 163.1
[M+H-H2O]+ 255.173560 157.6
[M+HCOO]- 317.174501 185.7
[M+CH3COO]- 331.190151 199.0
[M+Na-2H]- 293.150966 173.0
[M]+ 272.17575142 165.4
[M]- 272.17684858 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.