CID 473834

(n)-methano-carba-azt

Structural Information

Molecular Formula

C₁₂H₁₅N₅O₃

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@]3(C2C3)CO)N=[N+]=[N-]

InChI

InChI=1S/C12H15N5O3/c1-6-4-17(11(20)14-10(6)19)8-2-9(15-16-13)12(5-18)3-7(8)12/h4,7-9,18H,2-3,5H2,1H3,(H,14,19,20)/t7?,8-,9-,12+/m0/s1

InChIKey

DDSHCFYDJMCENP-WCZBDXNWSA-N

Compound name

1-[(2S,4S,5R)-4-azido-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1175 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.124776	157.9
[M+Na]+	300.106718	168.8
[M-H]-	276.110224	164.4
[M+NH4]+	295.151323	170.5
[M+K]+	316.080658	158.2
[M+H-H2O]+	260.114760	156.0
[M+HCOO]-	322.115701	182.1
[M+CH3COO]-	336.131351	199.2
[M+Na-2H]-	298.092166	166.2
[M]+	277.11695142	158.2
[M]-	277.11804858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.