CID 463791

Chembl164475

Structural Information

Molecular Formula
C12H22N4O
SMILES
C1=CC(=NC(=C1)CNCCNCCCO)CN
InChI
InChI=1S/C12H22N4O/c13-9-11-3-1-4-12(16-11)10-15-7-6-14-5-2-8-17/h1,3-4,14-15,17H,2,5-10,13H2
InChIKey
LSIGSTNTRJMALM-UHFFFAOYSA-N
Compound name
3-[2-[[6-(aminomethyl)pyridin-2-yl]methylamino]ethylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.17937 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18665 154.8
[M+Na]+ 261.16859 158.8
[M-H]- 237.17209 154.5
[M+NH4]+ 256.21319 169.3
[M+K]+ 277.14253 155.2
[M+H-H2O]+ 221.17663 146.5
[M+HCOO]- 283.17757 178.2
[M+CH3COO]- 297.19322 198.1
[M+Na-2H]- 259.15404 160.4
[M]+ 238.17882 153.0
[M]- 238.17992 153.0
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.