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]+ 284.16451 168.5
[M+Na]+ 306.14645 173.9
[M-H]- 282.14995 174.3
[M+NH4]+ 301.19105 183.5
[M+K]+ 322.12039 170.2
[M+H-H2O]+ 266.15449 160.7
[M+HCOO]- 328.15543 190.0
[M+CH3COO]- 342.17108 203.2
[M+Na-2H]- 304.13190 172.6
[M]+ 283.15668 168.6
[M]- 283.15778 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.