CID 43174

26889-86-1

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCN)O
InChI
InChI=1S/C13H14N2O2/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,16H,5-6,14H2,(H,15,17)
InChIKey
LKDKFADINSRVMX-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

230.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 149.7
[M+Na]+ 253.094748 156.5
[M-H]- 229.098254 152.5
[M+NH4]+ 248.139353 167.3
[M+K]+ 269.068688 152.6
[M+H-H2O]+ 213.102790 143.1
[M+HCOO]- 275.103731 172.4
[M+CH3COO]- 289.119381 193.5
[M+Na-2H]- 251.080196 155.7
[M]+ 230.10498142 147.8
[M]- 230.10607858 147.8
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