CID 118704575

Chlorowodorek 17-oksolupanina

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCN2[C@@H](C1)[C@H]3C[C@@H](C2=O)[C@H]4CCC(=O)CN4C3
InChI
InChI=1S/C15H22N2O2/c18-11-4-5-14-12-7-10(8-16(14)9-11)13-3-1-2-6-17(13)15(12)19/h10,12-14H,1-9H2/t10-,12+,13-,14+/m0/s1
InChIKey
JQEQDSXZELXDLB-AHLTXXRQSA-N
Compound name
(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-5,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 160.6
[M+Na]+ 285.15734 164.2
[M-H]- 261.16084 160.0
[M+NH4]+ 280.20194 177.4
[M+K]+ 301.13128 159.7
[M+H-H2O]+ 245.16538 151.5
[M+HCOO]- 307.16632 166.7
[M+CH3COO]- 321.18197 168.5
[M+Na-2H]- 283.14279 163.4
[M]+ 262.16757 151.4
[M]- 262.16867 151.4
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.