CID 5158023

0ju4gk6u1i

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC(=O)OC(C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)
InChIKey
HZUAABDZTNOQFU-UHFFFAOYSA-N
Compound name
[2-(benzylamino)-2-oxo-1-phenylethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.4
[M+Na]+ 306.11007 170.4
[M-H]- 282.11357 172.4
[M+NH4]+ 301.15467 181.0
[M+K]+ 322.08401 167.9
[M+H-H2O]+ 266.11811 158.0
[M+HCOO]- 328.11905 188.9
[M+CH3COO]- 342.13470 201.7
[M+Na-2H]- 304.09552 169.6
[M]+ 283.12030 166.6
[M]- 283.12140 166.6
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

patents stripe