CID 37188

3-hydroxy-4,5-dimethoxybenzoyl aminoguanidine hemisulfate

Structural Information

Molecular Formula
C10H14N4O4
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)NN=C(N)N
InChI
InChI=1S/C10H14N4O4/c1-17-7-4-5(3-6(15)8(7)18-2)9(16)13-14-10(11)12/h3-4,15H,1-2H3,(H,13,16)(H4,11,12,14)
InChIKey
IFABZRXYEYHRHH-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3-hydroxy-4,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1015 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 156.1
[M+Na]+ 277.09072 162.6
[M+NH4]+ 272.13532 160.5
[M+K]+ 293.06466 160.6
[M-H]- 253.09422 157.1
[M+Na-2H]- 275.07617 158.7
[M]+ 254.10095 156.5
[M]- 254.10205 156.5
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.