CID 200141

Cuauchichicine

Structural Information

Molecular Formula
C22H33NO2
SMILES
CC1C2CCC3C(C2)(C1=O)CCC4C35CCCC4(CN6C5OCC6)C
InChI
InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h14-17,19H,3-13H2,1-2H3
InChIKey
BGZNEAVTIQGRHL-UHFFFAOYSA-N
Compound name
6,12-dimethyl-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.25113 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 189.4
[M+Na]+ 366.24035 196.9
[M+NH4]+ 361.28495 204.0
[M+K]+ 382.21429 187.4
[M-H]- 342.24385 192.8
[M+Na-2H]- 364.22580 188.6
[M]+ 343.25058 191.7
[M]- 343.25168 191.7
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.