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

literature stripe

Patent stripe

patents stripe