CID 9587953

Crl 40315

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCOC1=CC(=CC(=C1)OC/C(=N\O)/N)OCC
InChI
InChI=1S/C12H18N2O4/c1-3-16-9-5-10(17-4-2)7-11(6-9)18-8-12(13)14-15/h5-7,15H,3-4,8H2,1-2H3,(H2,13,14)
InChIKey
AJWDDJHUAIHWCP-UHFFFAOYSA-N
Compound name
2-(3,5-diethoxyphenoxy)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.12666 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.6
[M+Na]+ 277.115878 162.5
[M-H]- 253.119384 159.7
[M+NH4]+ 272.160483 172.9
[M+K]+ 293.089818 161.6
[M+H-H2O]+ 237.123920 149.2
[M+HCOO]- 299.124861 181.6
[M+CH3COO]- 313.140511 199.7
[M+Na-2H]- 275.101326 160.1
[M]+ 254.12611142 160.1
[M]- 254.12720858 160.1
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

No patent data available for this compound.