CID 454170

3bzazt

Structural Information

Molecular Formula
C17H19N5O4
SMILES
CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C17H19N5O4/c1-11-8-21(15-7-13(19-20-18)14(10-23)26-15)17(25)22(16(11)24)9-12-5-3-2-4-6-12/h2-6,8,13-15,23H,7,9-10H2,1H3/t13-,14+,15+/m0/s1
InChIKey
PVXLDCORPRSPOJ-RRFJBIMHSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-benzyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.1437 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15098 183.8
[M+Na]+ 380.13292 191.0
[M-H]- 356.13642 193.7
[M+NH4]+ 375.17752 193.5
[M+K]+ 396.10686 182.5
[M+H-H2O]+ 340.14096 177.6
[M+HCOO]- 402.14190 208.7
[M+CH3COO]- 416.15755 214.5
[M+Na-2H]- 378.11837 189.0
[M]+ 357.14315 183.0
[M]- 357.14425 183.0
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.