CID 5284571

Hydroxystilbamidine

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)C(=N)N)O)C(=N)N
InChI
InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)/b4-1+
InChIKey
TUESWZZJYCLFNL-DAFODLJHSA-N
Compound name
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

639
References

4044
Patents

280.13242 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 166.1
[M+Na]+ 303.12164 171.1
[M-H]- 279.12514 170.8
[M+NH4]+ 298.16624 179.4
[M+K]+ 319.09558 165.4
[M+H-H2O]+ 263.12968 158.0
[M+HCOO]- 325.13062 189.8
[M+CH3COO]- 339.14627 209.7
[M+Na-2H]- 301.10709 167.4
[M]+ 280.13187 158.5
[M]- 280.13297 158.5
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.