CID 495739

Nsc667477

Structural Information

Molecular Formula
C18H22N2O6
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OCCCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C18H22N2O6/c21-11-15-13(22)9-16(26-15)20-10-14(17(23)19-18(20)24)25-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,13,15-16,21-22H,4,7-9,11H2,(H,19,23,24)/t13-,15+,16+/m1/s1
InChIKey
PKAUUFQQSOSZIW-KBMXLJTQSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-phenylpropoxy)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1478 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15508 182.3
[M+Na]+ 385.13702 189.1
[M-H]- 361.14052 186.6
[M+NH4]+ 380.18162 190.3
[M+K]+ 401.11096 185.0
[M+H-H2O]+ 345.14506 173.1
[M+HCOO]- 407.14600 197.8
[M+CH3COO]- 421.16165 206.6
[M+Na-2H]- 383.12247 182.0
[M]+ 362.14725 183.3
[M]- 362.14835 183.3
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.