CID 135484892

Nsc659127

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CN(C)CC(=O)N/N=C/C1=C(C(=CC=C1)OC)O
InChI
InChI=1S/C12H17N3O3/c1-15(2)8-11(16)14-13-7-9-5-4-6-10(18-3)12(9)17/h4-7,17H,8H2,1-3H3,(H,14,16)/b13-7+
InChIKey
SILBEOKOLWSVMC-NTUHNPAUSA-N
Compound name
2-(dimethylamino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 156.7
[M+Na]+ 274.11622 162.4
[M-H]- 250.11972 161.9
[M+NH4]+ 269.16082 173.8
[M+K]+ 290.09016 162.2
[M+H-H2O]+ 234.12426 149.0
[M+HCOO]- 296.12520 183.9
[M+CH3COO]- 310.14085 205.2
[M+Na-2H]- 272.10167 160.8
[M]+ 251.12645 159.5
[M]- 251.12755 159.5
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.