CID 109296

4,7,10,13-tetraazahexadecane-2,15-diol

Structural Information

Molecular Formula
C12H30N4O2
SMILES
CC(CNCCNCCNCCNCC(C)O)O
InChI
InChI=1S/C12H30N4O2/c1-11(17)9-15-7-5-13-3-4-14-6-8-16-10-12(2)18/h11-18H,3-10H2,1-2H3
InChIKey
GKIPXBGKRKVRLA-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

262.23688 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.24416 165.3
[M+Na]+ 285.22610 165.0
[M-H]- 261.22960 161.4
[M+NH4]+ 280.27070 179.0
[M+K]+ 301.20004 163.7
[M+H-H2O]+ 245.23414 157.6
[M+HCOO]- 307.23508 186.5
[M+CH3COO]- 321.25073 206.4
[M+Na-2H]- 283.21155 166.7
[M]+ 262.23633 163.2
[M]- 262.23743 163.2
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