CID 27963

Brn 1541926

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CN(C)CCCC1=CCC23CC=CCC2(C1)C(=O)NC3=O
InChI
InChI=1S/C17H24N2O2/c1-19(2)11-5-6-13-7-10-16-8-3-4-9-17(16,12-13)15(21)18-14(16)20/h3-4,7H,5-6,8-12H2,1-2H3,(H,18,20,21)
InChIKey
KLZOZRRRHRHLAU-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-12-azatricyclo[4.4.3.01,6]trideca-3,8-diene-11,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 169.6
[M+Na]+ 311.17300 178.5
[M+NH4]+ 306.21760 180.0
[M+K]+ 327.14694 170.1
[M-H]- 287.17650 172.0
[M+Na-2H]- 309.15845 175.5
[M]+ 288.18323 171.5
[M]- 288.18433 171.5
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.