CID 3040167

51734-49-7

Structural Information

Molecular Formula
C22H37NO3
SMILES
CCCCN(CCCC)CC(COCCCC)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C22H37NO3/c1-4-7-15-23(16-8-5-2)18-21(19-25-17-9-6-3)26-22(24)20-13-11-10-12-14-20/h10-14,21H,4-9,15-19H2,1-3H3
InChIKey
COBBZPBHRYCCSX-UHFFFAOYSA-N
Compound name
[1-butoxy-3-(dibutylamino)propan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.27734 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.28462 197.7
[M+Na]+ 386.26656 198.4
[M-H]- 362.27006 200.2
[M+NH4]+ 381.31116 210.1
[M+K]+ 402.24050 196.6
[M+H-H2O]+ 346.27460 188.5
[M+HCOO]- 408.27554 218.2
[M+CH3COO]- 422.29119 224.6
[M+Na-2H]- 384.25201 195.8
[M]+ 363.27679 205.0
[M]- 363.27789 205.0
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.