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]+ 336.166636 179.6
[M+Na]+ 358.148578 186.9
[M-H]- 334.152084 186.4
[M+NH4]+ 353.193183 191.0
[M+K]+ 374.122518 179.3
[M+H-H2O]+ 318.156620 175.2
[M+HCOO]- 380.157561 203.3
[M+CH3COO]- 394.173211 211.7
[M+Na-2H]- 356.134026 182.7
[M]+ 335.15881142 179.3
[M]- 335.15990858 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.