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 154.4
[M+Na]+ 277.09072 160.4
[M-H]- 253.09422 157.7
[M+NH4]+ 272.13532 169.7
[M+K]+ 293.06466 159.9
[M+H-H2O]+ 237.09876 146.7
[M+HCOO]- 299.09970 180.5
[M+CH3COO]- 313.11535 204.9
[M+Na-2H]- 275.07617 156.5
[M]+ 254.10095 153.5
[M]- 254.10205 153.5
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.