CID 395068

Nsc699330

Structural Information

Molecular Formula
C17H20N4O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)N(C(=O)NC3=CC=CC=C3)O
InChI
InChI=1S/C17H20N4O6/c1-10-8-20(16(24)19-15(10)23)14-7-12(13(9-22)27-14)21(26)17(25)18-11-5-3-2-4-6-11/h2-6,8,12-14,22,26H,7,9H2,1H3,(H,18,25)(H,19,23,24)/t12-,13-,14-/m1/s1
InChIKey
UHLQATNTUVDQSX-MGPQQGTHSA-N
Compound name
1-hydroxy-1-[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.13828 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14556 184.6
[M+Na]+ 399.12750 190.2
[M-H]- 375.13100 190.8
[M+NH4]+ 394.17210 191.9
[M+K]+ 415.10144 188.0
[M+H-H2O]+ 359.13554 175.1
[M+HCOO]- 421.13648 202.3
[M+CH3COO]- 435.15213 217.0
[M+Na-2H]- 397.11295 184.5
[M]+ 376.13773 183.8
[M]- 376.13883 183.8
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.