CID 45479385

Schembl18285039

Structural Information

Molecular Formula
C13H21N3O3
SMILES
C1=CC(=C(C(=C1)O)O)C(=O)NCCCNCCCN
InChI
InChI=1S/C13H21N3O3/c14-6-2-7-15-8-3-9-16-13(19)10-4-1-5-11(17)12(10)18/h1,4-5,15,17-18H,2-3,6-9,14H2,(H,16,19)
InChIKey
OJLWBCJWELTRCV-UHFFFAOYSA-N
Compound name
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

267.1583 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16558 163.2
[M+Na]+ 290.14752 170.0
[M+NH4]+ 285.19212 168.1
[M+K]+ 306.12146 165.8
[M-H]- 266.15102 163.9
[M+Na-2H]- 288.13297 165.8
[M]+ 267.15775 163.7
[M]- 267.15885 163.7
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