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 158.7
[M+Na]+ 291.10638 164.7
[M-H]- 267.10988 163.2
[M+NH4]+ 286.15098 174.2
[M+K]+ 307.08032 164.8
[M+H-H2O]+ 251.11442 150.6
[M+HCOO]- 313.11536 186.0
[M+CH3COO]- 327.13101 210.1
[M+Na-2H]- 289.09183 160.9
[M]+ 268.11661 160.0
[M]- 268.11771 160.0
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.