CID 222541

610-43-5

Structural Information

Molecular Formula
C16H17NO2
SMILES
CCOC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO2/c1-2-19-16(18)17(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKey
ATIPBKCFGLKIGH-UHFFFAOYSA-N
Compound name
ethyl N-benzyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

255.12593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.6
[M+Na]+ 278.11515 164.6
[M-H]- 254.11865 167.1
[M+NH4]+ 273.15975 176.2
[M+K]+ 294.08909 162.6
[M+H-H2O]+ 238.12319 151.1
[M+HCOO]- 300.12413 184.4
[M+CH3COO]- 314.13978 199.1
[M+Na-2H]- 276.10060 164.9
[M]+ 255.12538 161.2
[M]- 255.12648 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe