CID 3077380

134185-36-7

Structural Information

Molecular Formula
C16H25N5O5
SMILES
C1CN(CCN1CCCN2C=CN=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]
InChI
InChI=1S/C16H25N5O5/c22-21(23)26-14-11-25-15-13(10-24-16(14)15)20-8-6-18(7-9-20)3-1-4-19-5-2-17-12-19/h2,5,12-16H,1,3-4,6-11H2/t13-,14-,15+,16+/m0/s1
InChIKey
LQRBQAZGCRYSLS-CAOSSQGBSA-N
Compound name
[(3S,3aR,6S,6aS)-3-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18558 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19286 181.7
[M+Na]+ 390.17480 189.5
[M+NH4]+ 385.21940 186.7
[M+K]+ 406.14874 194.6
[M-H]- 366.17830 186.3
[M+Na-2H]- 388.16025 182.0
[M]+ 367.18503 183.5
[M]- 367.18613 183.5
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.