CID 451821

3'-n3-5-propyl-ddu

Structural Information

Molecular Formula
C12H17N5O4
SMILES
CCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H17N5O4/c1-2-3-7-5-17(12(20)14-11(7)19)10-4-8(15-16-13)9(6-18)21-10/h5,8-10,18H,2-4,6H2,1H3,(H,14,19,20)/t8-,9+,10+/m0/s1
InChIKey
BRFSKODPZOCAPF-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

295.12805 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 165.8
[M+Na]+ 318.11727 172.9
[M-H]- 294.12077 171.2
[M+NH4]+ 313.16187 177.8
[M+K]+ 334.09121 165.3
[M+H-H2O]+ 278.12531 161.4
[M+HCOO]- 340.12625 189.8
[M+CH3COO]- 354.14190 199.6
[M+Na-2H]- 316.10272 171.8
[M]+ 295.12750 163.6
[M]- 295.12860 163.6
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.