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]+ 329.222376 181.5
[M+Na]+ 351.204318 183.2
[M-H]- 327.207824 182.4
[M+NH4]+ 346.248923 195.5
[M+K]+ 367.178258 179.4
[M+H-H2O]+ 311.212360 173.0
[M+HCOO]- 373.213301 193.5
[M+CH3COO]- 387.228951 215.7
[M+Na-2H]- 349.189766 182.1
[M]+ 328.21455142 178.7
[M]- 328.21564858 178.7
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.