CID 132917042

1173998-80-5

Structural Information

Molecular Formula
C20H28N2O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C
InChI
InChI=1S/C20H28N2O2/c1-19-8-7-15-12(14(19)5-6-17(19)23)4-3-11-9-16-13(10-20(11,15)2)18(24)22-21-16/h11-12,14-15H,3-10H2,1-2H3,(H2,21,22,24)/t11-,12-,14-,15-,19-,20-/m0/s1
InChIKey
IBVOKGNUOPSVJY-PYDDOUHJSA-N
Compound name
(1S,2S,10S,13R,14S,18S)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icos-4(8)-ene-5,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 183.0
[M+Na]+ 351.20432 191.5
[M+NH4]+ 346.24892 194.3
[M+K]+ 367.17826 184.5
[M-H]- 327.20782 183.6
[M+Na-2H]- 349.18977 182.8
[M]+ 328.21455 184.4
[M]- 328.21565 184.4
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.