CID 44146247

4-(ethoxycarbonylamino)-6-hydroxynaphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C13H13NO6S
SMILES
CCOC(=O)NC1=C2C=C(C=CC2=CC(=C1)S(=O)(=O)O)O
InChI
InChI=1S/C13H13NO6S/c1-2-20-13(16)14-12-7-10(21(17,18)19)5-8-3-4-9(15)6-11(8)12/h3-7,15H,2H2,1H3,(H,14,16)(H,17,18,19)
InChIKey
YRKQGYKLEWKVRB-UHFFFAOYSA-N
Compound name
4-(ethoxycarbonylamino)-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

311.04636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.053636 164.3
[M+Na]+ 334.035578 172.0
[M-H]- 310.039084 166.4
[M+NH4]+ 329.080183 178.8
[M+K]+ 350.009518 168.7
[M+H-H2O]+ 294.043620 158.3
[M+HCOO]- 356.044561 179.1
[M+CH3COO]- 370.060211 198.8
[M+Na-2H]- 332.021026 169.2
[M]+ 311.04581142 168.6
[M]- 311.04690858 168.6
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