CID 37999

3,4,5-trimethoxybenzoic acid 2-(aminoiminomethyl)hydrazide sulfate (2:1)

Structural Information

Molecular Formula
C11H16N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(N)N
InChI
InChI=1S/C11H16N4O4/c1-17-7-4-6(10(16)14-15-11(12)13)5-8(18-2)9(7)19-3/h4-5H,1-3H3,(H,14,16)(H4,12,13,15)
InChIKey
YXOOOTNZWCXVPJ-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 160.4
[M+Na]+ 291.10638 167.2
[M+NH4]+ 286.15098 164.9
[M+K]+ 307.08032 164.6
[M-H]- 267.10988 161.8
[M+Na-2H]- 289.09183 163.3
[M]+ 268.11661 161.0
[M]- 268.11771 161.0
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.