CID 54187

78329-96-1

Structural Information

Molecular Formula
C23H40N2O2
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)CN(CC)CC
InChI
InChI=1S/C23H40N2O2/c1-5-9-16-25(17-10-6-2)18-11-19-27-23(26)22-14-12-21(13-15-22)20-24(7-3)8-4/h12-15H,5-11,16-20H2,1-4H3
InChIKey
ASUQYYGSMJTBQI-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propyl 4-(diethylaminomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.309 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.316276 202.6
[M+Na]+ 399.298218 203.4
[M-H]- 375.301724 206.6
[M+NH4]+ 394.342823 215.2
[M+K]+ 415.272158 201.8
[M+H-H2O]+ 359.306260 192.9
[M+HCOO]- 421.307201 225.0
[M+CH3COO]- 435.322851 234.4
[M+Na-2H]- 397.283666 200.3
[M]+ 376.30845142 210.4
[M]- 376.30954858 210.4
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.