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]+ 377.31628 202.6
[M+Na]+ 399.29822 203.4
[M-H]- 375.30172 206.6
[M+NH4]+ 394.34282 215.2
[M+K]+ 415.27216 201.8
[M+H-H2O]+ 359.30626 192.9
[M+HCOO]- 421.30720 225.0
[M+CH3COO]- 435.32285 234.4
[M+Na-2H]- 397.28367 200.3
[M]+ 376.30845 210.4
[M]- 376.30955 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.