CID 109297

4,7,10,13,16-pentaazanonadecane-2,18-diol

Structural Information

Molecular Formula
C14H35N5O2
SMILES
CC(CNCCNCCNCCNCCNCC(C)O)O
InChI
InChI=1S/C14H35N5O2/c1-13(20)11-18-9-7-16-5-3-15-4-6-17-8-10-19-12-14(2)21/h13-21H,3-12H2,1-2H3
InChIKey
JALHBXZSNVJTLT-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.27908 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.28636 174.3
[M+Na]+ 328.26830 172.3
[M-H]- 304.27180 170.1
[M+NH4]+ 323.31290 185.8
[M+K]+ 344.24224 170.9
[M+H-H2O]+ 288.27634 165.6
[M+HCOO]- 350.27728 195.9
[M+CH3COO]- 364.29293 217.9
[M+Na-2H]- 326.25375 175.3
[M]+ 305.27853 172.1
[M]- 305.27963 172.1
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.