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]+ 340.227096 185.3
[M+Na]+ 362.209038 187.5
[M-H]- 338.212544 192.1
[M+NH4]+ 357.253643 198.4
[M+K]+ 378.182978 185.8
[M+H-H2O]+ 322.217080 176.6
[M+HCOO]- 384.218021 204.6
[M+CH3COO]- 398.233671 219.7
[M+Na-2H]- 360.194486 186.0
[M]+ 339.21927142 187.5
[M]- 339.22036858 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.