CID 53968111

754930-99-9

Structural Information

Molecular Formula
C16H37N3O4
SMILES
CC(CN(CCNCCN(CC(C)O)CC(C)O)CC(C)O)O
InChI
InChI=1S/C16H37N3O4/c1-13(20)9-18(10-14(2)21)7-5-17-6-8-19(11-15(3)22)12-16(4)23/h13-17,20-23H,5-12H2,1-4H3
InChIKey
JPRZLFKSVRSQOL-UHFFFAOYSA-N
Compound name
1-[2-[2-[bis(2-hydroxypropyl)amino]ethylamino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

335.2784 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.28568 189.7
[M+Na]+ 358.26762 187.7
[M-H]- 334.27112 185.4
[M+NH4]+ 353.31222 200.5
[M+K]+ 374.24156 188.9
[M+H-H2O]+ 318.27566 182.0
[M+HCOO]- 380.27660 205.2
[M+CH3COO]- 394.29225 220.9
[M+Na-2H]- 356.25307 183.7
[M]+ 335.27785 190.2
[M]- 335.27895 190.2
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