CID 24834806

Benactizina n. 43

Structural Information

Molecular Formula
C24H25NO3
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H25NO3/c1-25(2)18-22(19-12-6-3-7-13-19)28-23(26)24(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,27H,18H2,1-2H3
InChIKey
DLCLQPSAMLSUDP-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 191.4
[M+Na]+ 398.17266 193.4
[M-H]- 374.17616 199.8
[M+NH4]+ 393.21726 201.4
[M+K]+ 414.14660 190.1
[M+H-H2O]+ 358.18070 181.4
[M+HCOO]- 420.18164 210.7
[M+CH3COO]- 434.19729 220.3
[M+Na-2H]- 396.15811 194.4
[M]+ 375.18289 191.5
[M]- 375.18399 191.5
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.