CID 60366

109697-44-1

Structural Information

Molecular Formula
C16H32N4O2
SMILES
C[N+](C)(C)CCCOC1=NN=C(C=C1)OCCC[N+](C)(C)C
InChI
InChI=1S/C16H32N4O2/c1-19(2,3)11-7-13-21-15-9-10-16(18-17-15)22-14-8-12-20(4,5)6/h9-10H,7-8,11-14H2,1-6H3/q+2
InChIKey
DUHGOAJSPOHVSD-UHFFFAOYSA-N
Compound name
trimethyl-[3-[6-[3-(trimethylazaniumyl)propoxy]pyridazin-3-yl]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25253 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.259806 173.4
[M+Na]+ 335.241748 178.2
[M-H]- 311.245254 176.9
[M+NH4]+ 330.286353 186.4
[M+K]+ 351.215688 166.6
[M+H-H2O]+ 295.249790 170.2
[M+HCOO]- 357.250731 194.1
[M+CH3COO]- 371.266381 206.0
[M+Na-2H]- 333.227196 186.4
[M]+ 312.25198142 177.6
[M]- 312.25307858 177.6
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.