CID 15876520

Dtxsid801385601

Structural Information

Molecular Formula
C18H40N6
SMILES
CN1CCN(CCN(CC1)CCN2CCN(CCN(CC2)C)C)C
InChI
InChI=1S/C18H40N6/c1-19-5-6-20(2)10-14-23(13-9-19)17-18-24-15-11-21(3)7-8-22(4)12-16-24/h5-18H2,1-4H3
InChIKey
JJICBMPGGOIYHR-UHFFFAOYSA-N
Compound name
1-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl]-4,7-dimethyl-1,4,7-triazonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

462
Patents

340.33145 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.33873 207.1
[M+Na]+ 363.32067 207.6
[M-H]- 339.32417 206.9
[M+NH4]+ 358.36527 207.0
[M+K]+ 379.29461 206.7
[M+H-H2O]+ 323.32871 203.0
[M+HCOO]- 385.32965 207.3
[M+CH3COO]- 399.34530 207.6
[M+Na-2H]- 361.30612 208.0
[M]+ 340.33090 207.1
[M]- 340.33200 207.1
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.