CID 482993

4-hydroxy-6-(phenoxycarbonylcarbamoylamino)naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C18H14N2O7S
SMILES
C1=CC=C(C=C1)OC(=O)NC(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C18H14N2O7S/c21-16-10-14(28(24,25)26)8-11-6-7-12(9-15(11)16)19-17(22)20-18(23)27-13-4-2-1-3-5-13/h1-10,21H,(H,24,25,26)(H2,19,20,22,23)
InChIKey
BJKDEVCXLJVQQG-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(phenoxycarbonylcarbamoylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0522 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.05948 185.7
[M+Na]+ 425.04142 191.1
[M-H]- 401.04492 190.5
[M+NH4]+ 420.08602 195.2
[M+K]+ 441.01536 187.7
[M+H-H2O]+ 385.04946 177.8
[M+HCOO]- 447.05040 200.6
[M+CH3COO]- 461.06605 217.0
[M+Na-2H]- 423.02687 191.2
[M]+ 402.05165 188.4
[M]- 402.05275 188.4
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

No patent data available for this compound.