CID 4910

Proadifen

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKey
SNTQPLDRUZOSDP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-diphenylpentanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1551
References

1772
Patents

353.23547 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 190.7
[M+Na]+ 376.22469 202.1
[M+NH4]+ 371.26929 197.8
[M+K]+ 392.19863 194.1
[M-H]- 352.22819 194.9
[M+Na-2H]- 374.21014 198.5
[M]+ 353.23492 193.6
[M]- 353.23602 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe