CID 337567

Benzyl n-benzyl-n-(2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1=CC=C(C=C1)CN(CCO)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO3/c19-12-11-18(13-15-7-3-1-4-8-15)17(20)21-14-16-9-5-2-6-10-16/h1-10,19H,11-14H2
InChIKey
RSFMUAGSZGKFFW-UHFFFAOYSA-N
Compound name
benzyl N-benzyl-N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

285.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.4
[M+Na]+ 308.12572 171.3
[M-H]- 284.12922 173.2
[M+NH4]+ 303.17032 181.9
[M+K]+ 324.09966 168.8
[M+H-H2O]+ 268.13376 158.7
[M+HCOO]- 330.13470 190.6
[M+CH3COO]- 344.15035 201.6
[M+Na-2H]- 306.11117 171.7
[M]+ 285.13595 168.8
[M]- 285.13705 168.8
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