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
2
Annotation Hits

0
References

31
Patents

230.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 149.7
[M+Na]+ 253.09475 156.5
[M-H]- 229.09825 152.5
[M+NH4]+ 248.13935 167.3
[M+K]+ 269.06869 152.6
[M+H-H2O]+ 213.10279 143.1
[M+HCOO]- 275.10373 172.4
[M+CH3COO]- 289.11938 193.5
[M+Na-2H]- 251.08020 155.7
[M]+ 230.10498 147.8
[M]- 230.10608 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