CID 78877468

Methyl 4-(dibenzylamino)butanoate

Structural Information

Molecular Formula
C19H23NO2
SMILES
COC(=O)CCCN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
InChIKey
NRSNDQYVNKDANQ-UHFFFAOYSA-N
Compound name
methyl 4-(dibenzylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.3
[M+Na]+ 320.16210 176.9
[M-H]- 296.16560 180.1
[M+NH4]+ 315.20670 188.1
[M+K]+ 336.13604 174.1
[M+H-H2O]+ 280.17014 164.1
[M+HCOO]- 342.17108 197.1
[M+CH3COO]- 356.18673 208.7
[M+Na-2H]- 318.14755 176.9
[M]+ 297.17233 176.0
[M]- 297.17343 176.0
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

patents stripe