CID 5272734

N,3-dihydroxynaphthalene-2-carboxamide

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NO)O
InChI
InChI=1S/C11H9NO3/c13-10-6-8-4-2-1-3-7(8)5-9(10)11(14)12-15/h1-6,13,15H,(H,12,14)
InChIKey
BVXHPRFAVBFDIA-UHFFFAOYSA-N
Compound name
N,3-dihydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

203.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.8
[M+Na]+ 226.047458 147.8
[M-H]- 202.050964 142.2
[M+NH4]+ 221.092063 158.4
[M+K]+ 242.021398 144.5
[M+H-H2O]+ 186.055500 134.1
[M+HCOO]- 248.056441 161.4
[M+CH3COO]- 262.072091 182.6
[M+Na-2H]- 224.032906 147.1
[M]+ 203.05769142 138.5
[M]- 203.05878858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe