CID 213518

26594-06-9

Structural Information

Molecular Formula
C10H17N4O4P
SMILES
CCC1=NC(=NC=C1OC)N(C=O)P(=O)(N)OCC
InChI
InChI=1S/C10H17N4O4P/c1-4-8-9(17-3)6-12-10(13-8)14(7-15)19(11,16)18-5-2/h6-7H,4-5H2,1-3H3,(H2,11,16)
InChIKey
GLGIENBTZNHWHH-UHFFFAOYSA-N
Compound name
N-[amino(ethoxy)phosphoryl]-N-(4-ethyl-5-methoxypyrimidin-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10603 164.1
[M+Na]+ 311.08797 171.0
[M-H]- 287.09147 165.1
[M+NH4]+ 306.13257 177.5
[M+K]+ 327.06191 171.1
[M+H-H2O]+ 271.09601 153.4
[M+HCOO]- 333.09695 192.3
[M+CH3COO]- 347.11260 208.8
[M+Na-2H]- 309.07342 166.8
[M]+ 288.09820 169.7
[M]- 288.09930 169.7
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.