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
2
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]+ 354.144816 181.6
[M+Na]+ 376.126758 187.9
[M-H]- 352.130264 185.7
[M+NH4]+ 371.171363 191.0
[M+K]+ 392.100698 182.2
[M+H-H2O]+ 336.134800 172.1
[M+HCOO]- 398.135741 200.2
[M+CH3COO]- 412.151391 208.8
[M+Na-2H]- 374.112206 182.4
[M]+ 353.13699142 181.3
[M]- 353.13808858 181.3
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