CID 202438

5-(dimethylamino)-2,2-diphenylvaleric acid sulfate

Structural Information

Molecular Formula
C19H23NO2
SMILES
CN(C)CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H23NO2/c1-20(2)15-9-14-19(18(21)22,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,21,22)
InChIKey
FOHZCQVDEXDTCY-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

297.17288 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 172.3
[M+Na]+ 320.162098 175.9
[M-H]- 296.165604 178.1
[M+NH4]+ 315.206703 186.5
[M+K]+ 336.136038 172.8
[M+H-H2O]+ 280.170140 164.2
[M+HCOO]- 342.171081 193.1
[M+CH3COO]- 356.186731 207.2
[M+Na-2H]- 318.147546 176.4
[M]+ 297.17233142 172.8
[M]- 297.17342858 172.8
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