CID 9578099

Benfosformin

Structural Information

Molecular Formula
C9H14N5O3P
SMILES
C1=CC=C(C=C1)CN=C(N)N/C(=N/P(=O)(O)O)/N
InChI
InChI=1S/C9H14N5O3P/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17)
InChIKey
VZIKPPVTSPAWEC-UHFFFAOYSA-N
Compound name
[(E)-[amino-[(N'-benzylcarbamimidoyl)amino]methylidene]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.08344 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09072 156.9
[M+Na]+ 294.07266 159.9
[M-H]- 270.07616 158.2
[M+NH4]+ 289.11726 171.0
[M+K]+ 310.04660 159.1
[M+H-H2O]+ 254.08070 146.8
[M+HCOO]- 316.08164 187.7
[M+CH3COO]- 330.09729 206.3
[M+Na-2H]- 292.05811 159.5
[M]+ 271.08289 152.0
[M]- 271.08399 152.0
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.