CID 88067

19437-46-8

Structural Information

Molecular Formula
C19H43N3O5
SMILES
C(CN(CCCO)CCN(CCCO)CCN(CCCO)CCCO)CO
InChI
InChI=1S/C19H43N3O5/c23-15-1-6-20(7-2-16-24)11-13-22(10-5-19-27)14-12-21(8-3-17-25)9-4-18-26/h23-27H,1-19H2
InChIKey
VGXGNFMEUOMDAJ-UHFFFAOYSA-N
Compound name
3-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

393.32028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.32756 200.5
[M+Na]+ 416.30950 197.5
[M-H]- 392.31300 195.2
[M+NH4]+ 411.35410 222.2
[M+K]+ 432.28344 196.8
[M+H-H2O]+ 376.31754 191.5
[M+HCOO]- 438.31848 224.2
[M+CH3COO]- 452.33413 228.8
[M+Na-2H]- 414.29495 197.3
[M]+ 393.31973 205.4
[M]- 393.32083 205.4
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