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]+ 329.222376 182.6
[M+Na]+ 351.204318 189.6
[M-H]- 327.207824 183.3
[M+NH4]+ 346.248923 204.0
[M+K]+ 367.178258 181.3
[M+H-H2O]+ 311.212360 175.1
[M+HCOO]- 373.213301 188.6
[M+CH3COO]- 387.228951 190.4
[M+Na-2H]- 349.189766 180.9
[M]+ 328.21455142 174.3
[M]- 328.21564858 174.3
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.