CID 3925429

Ethyl 2-amino-2,2-diphenylacetate

Structural Information

Molecular Formula
C16H17NO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)N
InChI
InChI=1S/C16H17NO2/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2,17H2,1H3
InChIKey
KGGXOKUIZXYLML-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.5
[M+Na]+ 278.11515 164.7
[M-H]- 254.11865 165.3
[M+NH4]+ 273.15975 175.3
[M+K]+ 294.08909 161.4
[M+H-H2O]+ 238.12319 151.9
[M+HCOO]- 300.12413 181.6
[M+CH3COO]- 314.13978 196.0
[M+Na-2H]- 276.10060 165.3
[M]+ 255.12538 158.5
[M]- 255.12648 158.5
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

patents stripe