CID 14418702

96320-92-2

Structural Information

Molecular Formula
C14H32Cl2N2O3
SMILES
C[N+](C)(CCOCC[N+](C)(C)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C14H32Cl2N2O3/c1-17(2,11-13(19)9-15)5-7-21-8-6-18(3,4)12-14(20)10-16/h13-14,19-20H,5-12H2,1-4H3/q+2
InChIKey
VXOFZRBOEJJACV-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-[2-[2-[(3-chloro-2-hydroxypropyl)-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

346.179 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18628 175.5
[M+Na]+ 369.16822 178.4
[M-H]- 345.17172 174.4
[M+NH4]+ 364.21282 189.3
[M+K]+ 385.14216 164.8
[M+H-H2O]+ 329.17626 177.6
[M+HCOO]- 391.17720 184.1
[M+CH3COO]- 405.19285 204.0
[M+Na-2H]- 367.15367 182.4
[M]+ 346.17845 179.3
[M]- 346.17955 179.3
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

patents stripe