CID 136636003

Dtxsid90889285

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC(=NCCCN1C=CN=C1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H17N3O2/c1-11(13-4-3-12(18)9-14(13)19)16-5-2-7-17-8-6-15-10-17/h3-4,6,8-10,18-19H,2,5,7H2,1H3
InChIKey
SDHYQZRGNPLPGJ-UHFFFAOYSA-N
Compound name
4-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

259.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 159.8
[M+Na]+ 282.121298 166.7
[M-H]- 258.124804 162.8
[M+NH4]+ 277.165903 174.7
[M+K]+ 298.095238 162.8
[M+H-H2O]+ 242.129340 151.1
[M+HCOO]- 304.130281 181.5
[M+CH3COO]- 318.145931 195.4
[M+Na-2H]- 280.106746 162.7
[M]+ 259.13153142 160.3
[M]- 259.13262858 160.3
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