CID 3041925

1-naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, 3-(amidinohydrazone)

Structural Information

Molecular Formula
C11H10N4O4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=NC(=N)N)S(=O)(=O)O
InChI
InChI=1S/C11H10N4O4S/c12-11(13)15-14-8-5-9(20(17,18)19)6-3-1-2-4-7(6)10(8)16/h1-5,16H,(H3,12,13)(H,17,18,19)
InChIKey
HTOSMCPKTCQHQV-UHFFFAOYSA-N
Compound name
3-(carbamimidoyldiazenyl)-4-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.04227 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04955 158.4
[M+Na]+ 317.03149 165.9
[M-H]- 293.03499 162.7
[M+NH4]+ 312.07609 173.5
[M+K]+ 333.00543 162.4
[M+H-H2O]+ 277.03953 151.4
[M+HCOO]- 339.04047 178.7
[M+CH3COO]- 353.05612 207.8
[M+Na-2H]- 315.01694 165.4
[M]+ 294.04172 158.7
[M]- 294.04282 158.7
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.