CID 3654

Oxistilbamidinum

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1=CC(=CC=C1C=CC2=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)
InChIKey
TUESWZZJYCLFNL-UHFFFAOYSA-N
Compound name
4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

639
References

3949
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 167.7
[M+Na]+ 303.12164 176.9
[M+NH4]+ 298.16624 173.5
[M+K]+ 319.09558 171.5
[M-H]- 279.12514 172.2
[M+Na-2H]- 301.10709 173.6
[M]+ 280.13187 169.7
[M]- 280.13297 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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