CID 46932

64049-81-6

Structural Information

Molecular Formula
C15H37N3O4
SMILES
CN(CC[N+](C)(CCO)CCO)CC[N+](C)(CCO)CCO
InChI
InChI=1S/C15H37N3O4/c1-16(4-6-17(2,8-12-19)9-13-20)5-7-18(3,10-14-21)11-15-22/h19-22H,4-15H2,1-3H3/q+2
InChIKey
BXHNOPPAFPSNJI-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-methylamino]ethyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2784 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.28568 172.6
[M+Na]+ 346.26762 173.2
[M-H]- 322.27112 218.7
[M+NH4]+ 341.31222 215.2
[M+K]+ 362.24156 161.8
[M+H-H2O]+ 306.27566 172.0
[M+HCOO]- 368.27660 233.2
[M+CH3COO]- 382.29225 202.5
[M+Na-2H]- 344.25307 182.0
[M]+ 323.27785 213.1
[M]- 323.27895 213.1
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.