CID 213520

Brn 0854190

Structural Information

Molecular Formula
C18H17N4O5P
SMILES
COC1=CN=C(N=C1)NC(=O)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H17N4O5P/c1-25-16-12-19-17(20-13-16)21-18(23)22-28(24,26-14-8-4-2-5-9-14)27-15-10-6-3-7-11-15/h2-13H,1H3,(H2,19,20,21,22,23,24)
InChIKey
WYPUAUSRHQQNMM-UHFFFAOYSA-N
Compound name
1-diphenoxyphosphoryl-3-(5-methoxypyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.09366 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10094 188.2
[M+Na]+ 423.08288 191.8
[M-H]- 399.08638 193.7
[M+NH4]+ 418.12748 194.6
[M+K]+ 439.05682 189.6
[M+H-H2O]+ 383.09092 173.9
[M+HCOO]- 445.09186 215.1
[M+CH3COO]- 459.10751 222.5
[M+Na-2H]- 421.06833 193.4
[M]+ 400.09311 190.3
[M]- 400.09421 190.3
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.