CID 3077408

134186-07-5

Structural Information

Molecular Formula
C15H19N3O7
SMILES
C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CO4
InChI
InChI=1S/C15H19N3O7/c19-15(11-2-1-7-22-11)17-5-3-16(4-6-17)10-8-23-14-12(25-18(20)21)9-24-13(10)14/h1-2,7,10,12-14H,3-6,8-9H2/t10-,12-,13+,14+/m0/s1
InChIKey
PXVWCNGQXRUMPD-SCUASFONSA-N
Compound name
[(3S,3aR,6S,6aS)-3-[4-(furan-2-carbonyl)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

353.1223 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.129576 177.5
[M+Na]+ 376.111518 179.2
[M-H]- 352.115024 186.8
[M+NH4]+ 371.156123 187.6
[M+K]+ 392.085458 177.6
[M+H-H2O]+ 336.119560 176.0
[M+HCOO]- 398.120501 191.5
[M+CH3COO]- 412.136151 203.0
[M+Na-2H]- 374.096966 178.0
[M]+ 353.12175142 174.9
[M]- 353.12284858 174.9
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.