CID 473836

(s)-methano-carba-azt

Structural Information

Molecular Formula
C12H15N5O3
SMILES
CC1=CN(C(=O)NC1=O)[C@]23C[C@@H]([C@H](C2C3)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H15N5O3/c1-6-4-17(11(20)14-10(6)19)12-2-8(12)7(5-18)9(3-12)15-16-13/h4,7-9,18H,2-3,5H2,1H3,(H,14,19,20)/t7-,8?,9-,12+/m0/s1
InChIKey
KULDHWYURHNUTK-RJYPUMJKSA-N
Compound name
1-[(1R,3S,4S)-3-azido-4-(hydroxymethyl)-1-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 157.9
[M+Na]+ 300.10672 168.8
[M-H]- 276.11022 164.4
[M+NH4]+ 295.15132 170.5
[M+K]+ 316.08066 158.2
[M+H-H2O]+ 260.11476 156.0
[M+HCOO]- 322.11570 182.1
[M+CH3COO]- 336.13135 199.2
[M+Na-2H]- 298.09217 166.2
[M]+ 277.11695 158.2
[M]- 277.11805 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.