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]+ 295.049546 158.4
[M+Na]+ 317.031488 165.9
[M-H]- 293.034994 162.7
[M+NH4]+ 312.076093 173.5
[M+K]+ 333.005428 162.4
[M+H-H2O]+ 277.039530 151.4
[M+HCOO]- 339.040471 178.7
[M+CH3COO]- 353.056121 207.8
[M+Na-2H]- 315.016936 165.4
[M]+ 294.04172142 158.7
[M]- 294.04281858 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.