CID 115472

63979-46-4

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C)OC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO2/c1-17(2)25-21(24)22(16-18(3)23(4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18H,16H2,1-5H3
InChIKey
XKWUYBWSIXJQPT-UHFFFAOYSA-N
Compound name
propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.3
[M+Na]+ 362.20904 187.5
[M-H]- 338.21254 192.1
[M+NH4]+ 357.25364 198.4
[M+K]+ 378.18298 185.8
[M+H-H2O]+ 322.21708 176.6
[M+HCOO]- 384.21802 204.6
[M+CH3COO]- 398.23367 219.7
[M+Na-2H]- 360.19449 186.0
[M]+ 339.21927 187.5
[M]- 339.22037 187.5
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.