CID 86572994

5',4'-iprdiot

Structural Information

Molecular Formula
C14H19N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3(O2)COC(OC3)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C14H19N5O5/c1-8-5-19(12(21)16-11(8)20)10-4-9(17-18-15)14(24-10)6-22-13(2,3)23-7-14/h5,9-10H,4,6-7H2,1-3H3,(H,16,20,21)/t9-,10+/m0/s1
InChIKey
NWOUGYDAOAJVRL-VHSXEESVSA-N
Compound name
1-[(2R,4S)-4-azido-8,8-dimethyl-1,7,9-trioxaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1386 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 174.1
[M+Na]+ 360.12782 181.7
[M-H]- 336.13132 183.8
[M+NH4]+ 355.17242 186.2
[M+K]+ 376.10176 177.1
[M+H-H2O]+ 320.13586 170.3
[M+HCOO]- 382.13680 193.9
[M+CH3COO]- 396.15245 208.2
[M+Na-2H]- 358.11327 183.5
[M]+ 337.13805 172.1
[M]- 337.13915 172.1
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.