CID 236515

63203-45-2

Structural Information

Molecular Formula
C12H17N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN
InChI
InChI=1S/C12H17N3O5/c1-18-8-4-7(5-9(19-2)11(8)20-3)12(17)14-6-10(16)15-13/h4-5H,6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
UXECEMOPVFIRRG-UHFFFAOYSA-N
Compound name
N-(2-hydrazinyl-2-oxoethyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

283.11682 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 162.0
[M+Na]+ 306.10604 167.8
[M-H]- 282.10954 165.4
[M+NH4]+ 301.15064 176.7
[M+K]+ 322.07998 167.7
[M+H-H2O]+ 266.11408 154.2
[M+HCOO]- 328.11502 187.3
[M+CH3COO]- 342.13067 208.1
[M+Na-2H]- 304.09149 164.0
[M]+ 283.11627 165.0
[M]- 283.11737 165.0
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.