CID 58196

9-(dibutyroamido)julolidine

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCCC(=O)N(C1=CCC2=C3C1CCNC3=CCC2)C(=O)CCC
InChI
InChI=1S/C20H28N2O2/c1-3-6-18(23)22(19(24)7-4-2)17-11-10-14-8-5-9-16-20(14)15(17)12-13-21-16/h9,11,15,21H,3-8,10,12-13H2,1-2H3
InChIKey
XCXMHKHESXWZGY-UHFFFAOYSA-N
Compound name
N-(2,3,3a,6,7,8-hexahydro-1H-benzo[de]quinolin-4-yl)-N-butanoylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.3
[M+Na]+ 351.20432 189.5
[M+NH4]+ 346.24892 187.6
[M+K]+ 367.17826 182.9
[M-H]- 327.20782 181.7
[M+Na-2H]- 349.18977 181.7
[M]+ 328.21455 181.7
[M]- 328.21565 181.7
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.