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 160.5
[M+Na]+ 317.03149 168.4
[M+NH4]+ 312.07609 165.8
[M+K]+ 333.00543 163.7
[M-H]- 293.03499 162.0
[M+Na-2H]- 315.01694 164.8
[M]+ 294.04172 161.9
[M]- 294.04282 161.9
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.