CID 219704

5348-94-7

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)N(C)C
InChI
InChI=1S/C19H23NO2/c1-15(20(2)3)14-19(18(21)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,21,22)
InChIKey
YGJYNWQCJYLWLV-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2,2-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

297.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.9
[M+Na]+ 320.16210 175.1
[M-H]- 296.16560 177.7
[M+NH4]+ 315.20670 186.0
[M+K]+ 336.13604 172.7
[M+H-H2O]+ 280.17014 163.9
[M+HCOO]- 342.17108 191.6
[M+CH3COO]- 356.18673 208.0
[M+Na-2H]- 318.14755 174.9
[M]+ 297.17233 171.8
[M]- 297.17343 171.8
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

No patent data available for this compound.