CID 46683

Proparsamide

Structural Information

Molecular Formula
C9H13AsN2O4
SMILES
C1=CC(=CC=C1NCCC(=O)N)[As](=O)(O)O
InChI
InChI=1S/C9H13AsN2O4/c11-9(13)5-6-12-8-3-1-7(2-4-8)10(14,15)16/h1-4,12H,5-6H2,(H2,11,13)(H2,14,15,16)
InChIKey
FEDRHZSPGVGSSK-UHFFFAOYSA-N
Compound name
[4-[(3-amino-3-oxopropyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.00912 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01640 158.4
[M+Na]+ 310.99834 163.5
[M-H]- 287.00184 158.4
[M+NH4]+ 306.04294 173.4
[M+K]+ 326.97228 160.9
[M+H-H2O]+ 271.00638 151.7
[M+HCOO]- 333.00732 178.9
[M+CH3COO]- 347.02297 190.2
[M+Na-2H]- 308.98379 162.4
[M]+ 288.00857 155.9
[M]- 288.00967 155.9
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.