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 181.5
[M+Na]+ 351.20432 183.2
[M-H]- 327.20782 182.4
[M+NH4]+ 346.24892 195.5
[M+K]+ 367.17826 179.4
[M+H-H2O]+ 311.21236 173.0
[M+HCOO]- 373.21330 193.5
[M+CH3COO]- 387.22895 215.7
[M+Na-2H]- 349.18977 182.1
[M]+ 328.21455 178.7
[M]- 328.21565 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.