CID 482979

4-hydroxy-7-(2-naphthylcarbamoylamino)naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C21H16N2O5S
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O
InChI
InChI=1S/C21H16N2O5S/c24-20-12-18(29(26,27)28)11-15-10-17(7-8-19(15)20)23-21(25)22-16-6-5-13-3-1-2-4-14(13)9-16/h1-12,24H,(H2,22,23,25)(H,26,27,28)
InChIKey
FOMVCXAFJKNCGU-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(naphthalen-2-ylcarbamoylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.078 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08528 188.8
[M+Na]+ 431.06722 196.5
[M-H]- 407.07072 194.8
[M+NH4]+ 426.11182 199.5
[M+K]+ 447.04116 190.9
[M+H-H2O]+ 391.07526 180.7
[M+HCOO]- 453.07620 204.2
[M+CH3COO]- 467.09185 221.3
[M+Na-2H]- 429.05267 197.1
[M]+ 408.07745 191.8
[M]- 408.07855 191.8
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

No patent data available for this compound.