CID 482980

4-hydroxy-7-(3-quinolylcarbamoylamino)naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C20H15N3O5S
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O
InChI
InChI=1S/C20H15N3O5S/c24-19-10-16(29(26,27)28)9-13-8-14(5-6-17(13)19)22-20(25)23-15-7-12-3-1-2-4-18(12)21-11-15/h1-11,24H,(H2,22,23,25)(H,26,27,28)
InChIKey
JZPFJNUENRGWFX-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(quinolin-3-ylcarbamoylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07324 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08052 188.7
[M+Na]+ 432.06246 197.0
[M-H]- 408.06596 193.8
[M+NH4]+ 427.10706 198.1
[M+K]+ 448.03640 191.1
[M+H-H2O]+ 392.07050 180.3
[M+HCOO]- 454.07144 203.2
[M+CH3COO]- 468.08709 197.6
[M+Na-2H]- 430.04791 197.8
[M]+ 409.07269 191.9
[M]- 409.07379 191.9
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.