CID 14149608

113869-04-8

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC1=CC(=O)OC2=C3C4=C(C=C12)C(CCN4CCC3(C)C)(C)C
InChI
InChI=1S/C20H25NO2/c1-12-10-15(22)23-18-13(12)11-14-17-16(18)20(4,5)7-9-21(17)8-6-19(14,2)3/h10-11H,6-9H2,1-5H3
InChIKey
UKPIALJRUISJAX-UHFFFAOYSA-N
Compound name
6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

311.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.195816 173.7
[M+Na]+ 334.177758 184.1
[M-H]- 310.181264 178.7
[M+NH4]+ 329.222363 193.8
[M+K]+ 350.151698 180.1
[M+H-H2O]+ 294.185800 164.7
[M+HCOO]- 356.186741 186.0
[M+CH3COO]- 370.202391 184.9
[M+Na-2H]- 332.163206 179.8
[M]+ 311.18799142 175.7
[M]- 311.18908858 175.7
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

patents stripe