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]+ 391.25914 200.1
[M+Na]+ 413.24108 198.9
[M-H]- 389.24458 204.5
[M+NH4]+ 408.28568 207.8
[M+K]+ 429.21502 198.6
[M+H-H2O]+ 373.24912 189.4
[M+HCOO]- 435.25006 214.9
[M+CH3COO]- 449.26571 225.7
[M+Na-2H]- 411.22653 198.0
[M]+ 390.25131 201.5
[M]- 390.25241 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.