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

2
Patents

254.12666 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 156.6
[M+Na]+ 277.11588 162.5
[M-H]- 253.11938 159.7
[M+NH4]+ 272.16048 172.9
[M+K]+ 293.08982 161.6
[M+H-H2O]+ 237.12392 149.2
[M+HCOO]- 299.12486 181.6
[M+CH3COO]- 313.14051 199.7
[M+Na-2H]- 275.10133 160.1
[M]+ 254.12611 160.1
[M]- 254.12721 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.