CID 37190

3-benzyloxy-4,5-dimethoxybenzoyl aminoguanidine hemisulfate

Structural Information

Molecular Formula
C17H20N4O4
SMILES
COC1=C(C(=CC(=C1)C(=O)NN=C(N)N)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H20N4O4/c1-23-13-8-12(16(22)20-21-17(18)19)9-14(15(13)24-2)25-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,22)(H4,18,19,21)
InChIKey
APWATYLEHSWMKN-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3,4-dimethoxy-5-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15575 181.6
[M+Na]+ 367.13769 190.1
[M+NH4]+ 362.18229 186.4
[M+K]+ 383.11163 185.6
[M-H]- 343.14119 185.8
[M+Na-2H]- 365.12314 187.2
[M]+ 344.14792 183.4
[M]- 344.14902 183.4
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.