CID 136448590

Dtxsid30889289

Structural Information

Molecular Formula
C19H19N3O4
SMILES
C1=CC(=C(C=C1O)O)C(=NCCCN2C=CN=C2)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C19H19N3O4/c23-13-2-4-15(17(25)10-13)19(16-5-3-14(24)11-18(16)26)21-6-1-8-22-9-7-20-12-22/h2-5,7,9-12,23-26H,1,6,8H2
InChIKey
QGFISYILOVDQQS-UHFFFAOYSA-N
Compound name
4-[C-(2,4-dihydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.13754 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 185.0
[M+Na]+ 376.12676 196.6
[M+NH4]+ 371.17136 189.6
[M+K]+ 392.10070 193.2
[M-H]- 352.13026 187.7
[M+Na-2H]- 374.11221 191.3
[M]+ 353.13699 187.0
[M]- 353.13809 187.0
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

patents stripe