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]+ 354.12958 177.5
[M+Na]+ 376.11152 179.2
[M-H]- 352.11502 186.8
[M+NH4]+ 371.15612 187.6
[M+K]+ 392.08546 177.6
[M+H-H2O]+ 336.11956 176.0
[M+HCOO]- 398.12050 191.5
[M+CH3COO]- 412.13615 203.0
[M+Na-2H]- 374.09697 178.0
[M]+ 353.12175 174.9
[M]- 353.12285 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.