CID 3046178

61706-46-5

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)N)C(=O)OCC
InChI
InChI=1S/C18H21NO2/c1-3-18(17(20)21-4-2,14-8-6-5-7-9-14)15-10-12-16(19)13-11-15/h5-13H,3-4,19H2,1-2H3
InChIKey
RCFUWTKXZZBVRN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-aminophenyl)-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 168.5
[M+Na]+ 306.146448 173.9
[M-H]- 282.149954 174.3
[M+NH4]+ 301.191053 183.5
[M+K]+ 322.120388 170.2
[M+H-H2O]+ 266.154490 160.7
[M+HCOO]- 328.155431 190.0
[M+CH3COO]- 342.171081 203.2
[M+Na-2H]- 304.131896 172.6
[M]+ 283.15668142 168.6
[M]- 283.15777858 168.6
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.