CID 454169

3buazt

Structural Information

Molecular Formula
C14H21N5O4
SMILES
CCCCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C14H21N5O4/c1-3-4-5-18-13(21)9(2)7-19(14(18)22)12-6-10(16-17-15)11(8-20)23-12/h7,10-12,20H,3-6,8H2,1-2H3/t10-,11+,12+/m0/s1
InChIKey
OZQSYFUPKKRPDI-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-butyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.15936 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16664 175.7
[M+Na]+ 346.14858 183.3
[M-H]- 322.15208 182.5
[M+NH4]+ 341.19318 187.6
[M+K]+ 362.12252 176.0
[M+H-H2O]+ 306.15662 171.1
[M+HCOO]- 368.15756 200.5
[M+CH3COO]- 382.17321 209.5
[M+Na-2H]- 344.13403 180.4
[M]+ 323.15881 176.4
[M]- 323.15991 176.4
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

No patent data available for this compound.