CID 166492

77253-52-2

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CN(CCOC(=O)NC1=CC=CC=C1)CCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O4/c1-22(12-14-25-18(23)20-16-8-4-2-5-9-16)13-15-26-19(24)21-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,20,23)(H,21,24)
InChIKey
QAELNKAIYQBRDJ-UHFFFAOYSA-N
Compound name
2-[methyl-[2-(phenylcarbamoyloxy)ethyl]amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.176126 184.7
[M+Na]+ 380.158068 186.3
[M-H]- 356.161574 191.5
[M+NH4]+ 375.202673 196.1
[M+K]+ 396.132008 185.1
[M+H-H2O]+ 340.166110 174.4
[M+HCOO]- 402.167051 210.1
[M+CH3COO]- 416.182701 221.2
[M+Na-2H]- 378.143516 188.4
[M]+ 357.16830142 187.2
[M]- 357.16939858 187.2
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.