CID 6452071

Dtxsid60196998

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CCN2[C@@H](C1)[C@@H]3C[C@@H](C2=O)[C@@H]4CCCC(=O)N4C3
InChI
InChI=1S/C15H22N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13H,1-9H2/t10-,11-,12+,13+/m1/s1
InChIKey
HBYSMHYHSFSCED-NDBYEHHHSA-N
Compound name
(1R,2S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

262.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 160.6
[M+Na]+ 285.157338 164.2
[M-H]- 261.160844 160.0
[M+NH4]+ 280.201943 177.4
[M+K]+ 301.131278 159.7
[M+H-H2O]+ 245.165380 151.5
[M+HCOO]- 307.166321 166.7
[M+CH3COO]- 321.181971 168.5
[M+Na-2H]- 283.142786 163.4
[M]+ 262.16757142 151.4
[M]- 262.16866858 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

literature stripe

Patent stripe

No patent data available for this compound.