CID 100233

Diphenyl n-amidinophosphoramidate

Structural Information

Molecular Formula
C13H14N3O3P
SMILES
C1=CC=C(C=C1)OP(=O)(N=C(N)N)OC2=CC=CC=C2
InChI
InChI=1S/C13H14N3O3P/c14-13(15)16-20(17,18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h1-10H,(H4,14,15,16,17)
InChIKey
DQMWFJKHBOHYTI-UHFFFAOYSA-N
Compound name
2-diphenoxyphosphorylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07727 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08455 163.2
[M+Na]+ 314.06649 167.6
[M-H]- 290.06999 168.7
[M+NH4]+ 309.11109 177.4
[M+K]+ 330.04043 165.7
[M+H-H2O]+ 274.07453 152.2
[M+HCOO]- 336.07547 194.5
[M+CH3COO]- 350.09112 207.5
[M+Na-2H]- 312.05194 167.1
[M]+ 291.07672 162.1
[M]- 291.07782 162.1
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.