CID 454171

3(3me-2butenyl)azt

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CC1=CN(C(=O)N(C1=O)CC=C(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C15H21N5O4/c1-9(2)4-5-19-14(22)10(3)7-20(15(19)23)13-6-11(17-18-16)12(8-21)24-13/h4,7,11-13,21H,5-6,8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey
LUBFQJTZNLJIEP-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.15936 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 179.6
[M+Na]+ 358.14858 186.9
[M-H]- 334.15208 186.4
[M+NH4]+ 353.19318 191.0
[M+K]+ 374.12252 179.3
[M+H-H2O]+ 318.15662 175.2
[M+HCOO]- 380.15756 203.3
[M+CH3COO]- 394.17321 211.7
[M+Na-2H]- 356.13403 182.7
[M]+ 335.15881 179.3
[M]- 335.15991 179.3
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.