CID 6445172

(5-(bis(2-hydroxyethyl)amino)-2,4-pentadienylidene)bis(2-hydroxyethyl)ammonium perchlorate

Structural Information

Molecular Formula
C13H25N2O4
SMILES
C(CO)N(CCO)/C=C/C=C/C=[N+](CCO)CCO
InChI
InChI=1S/C13H25N2O4/c16-10-6-14(7-11-17)4-2-1-3-5-15(8-12-18)9-13-19/h1-5,16-19H,6-13H2/q+1
InChIKey
CRDSRWBATOVPGT-UHFFFAOYSA-N
Compound name
[(2E,4E)-5-[bis(2-hydroxyethyl)amino]penta-2,4-dienylidene]-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.18143 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18871 166.5
[M+Na]+ 296.17065 168.6
[M-H]- 272.17415 163.0
[M+NH4]+ 291.21525 180.3
[M+K]+ 312.14459 160.4
[M+H-H2O]+ 256.17869 162.6
[M+HCOO]- 318.17963 186.3
[M+CH3COO]- 332.19528 190.6
[M+Na-2H]- 294.15610 169.5
[M]+ 273.18088 165.6
[M]- 273.18198 165.6
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.