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]+ 354.14482 181.6
[M+Na]+ 376.12676 187.9
[M-H]- 352.13026 185.7
[M+NH4]+ 371.17136 191.0
[M+K]+ 392.10070 182.2
[M+H-H2O]+ 336.13480 172.1
[M+HCOO]- 398.13574 200.2
[M+CH3COO]- 412.15139 208.8
[M+Na-2H]- 374.11221 182.4
[M]+ 353.13699 181.3
[M]- 353.13809 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