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 168.2
[M+Na]+ 311.17300 173.4
[M-H]- 287.17650 172.8
[M+NH4]+ 306.21760 188.7
[M+K]+ 327.14694 169.7
[M+H-H2O]+ 271.18104 160.8
[M+HCOO]- 333.18198 185.1
[M+CH3COO]- 347.19763 204.0
[M+Na-2H]- 309.15845 170.6
[M]+ 288.18323 164.7
[M]- 288.18433 164.7
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.