CID 451577

121456-55-1

Structural Information

Molecular Formula
C17H19N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C17H19N5O4/c1-11-8-22(17(24)19-16(11)23)15-7-13(20-21-18)14(26-15)10-25-9-12-5-3-2-4-6-12/h2-6,8,13-15H,7,9-10H2,1H3,(H,19,23,24)/t13-,14+,15+/m0/s1
InChIKey
SGONCMFUCIXRLO-RRFJBIMHSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1437 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15098 182.8
[M+Na]+ 380.13292 189.1
[M-H]- 356.13642 192.3
[M+NH4]+ 375.17752 192.3
[M+K]+ 396.10686 180.7
[M+H-H2O]+ 340.14096 176.4
[M+HCOO]- 402.14190 207.8
[M+CH3COO]- 416.15755 213.3
[M+Na-2H]- 378.11837 188.8
[M]+ 357.14315 181.6
[M]- 357.14425 181.6
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.