CID 495748

Nsc667486

Structural Information

Molecular Formula
C18H22N2O7
SMILES
C1=CC=C(C=C1)CCCOC2=CN(C(=O)NC2=O)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C18H22N2O7/c21-10-13-14(22)15(23)17(27-13)20-9-12(16(24)19-18(20)25)26-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,13-15,17,21-23H,4,7-8,10H2,(H,19,24,25)/t13-,14-,15-,17-/m0/s1
InChIKey
AHKIVSIKOFWZQO-JKQORVJESA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-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

378.1427 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14998 185.3
[M+Na]+ 401.13192 192.2
[M-H]- 377.13542 188.6
[M+NH4]+ 396.17652 192.0
[M+K]+ 417.10586 188.2
[M+H-H2O]+ 361.13996 176.3
[M+HCOO]- 423.14090 199.3
[M+CH3COO]- 437.15655 208.4
[M+Na-2H]- 399.11737 184.1
[M]+ 378.14215 186.4
[M]- 378.14325 186.4
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.