CID 3050010

65446-89-1

Structural Information

Molecular Formula
C22H34N2O4
SMILES
CCCN(CCC)CC(CCC(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H34N2O4/c1-3-12-23(13-4-2)18-20(28-22(26)19-8-6-5-7-9-19)10-11-21(25)24-14-16-27-17-15-24/h5-9,20H,3-4,10-18H2,1-2H3
InChIKey
ZZGQBZZYRJFSFJ-UHFFFAOYSA-N
Compound name
[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.25186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.259136 200.1
[M+Na]+ 413.241078 198.9
[M-H]- 389.244584 204.5
[M+NH4]+ 408.285683 207.8
[M+K]+ 429.215018 198.6
[M+H-H2O]+ 373.249120 189.4
[M+HCOO]- 435.250061 214.9
[M+CH3COO]- 449.265711 225.7
[M+Na-2H]- 411.226526 198.0
[M]+ 390.25131142 201.5
[M]- 390.25240858 201.5
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.