CID 6373095

623940-62-5

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C/C(=N/OC(=O)NC1=CC=CC=C1)/CC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O2/c1-13(12-14-8-4-2-5-9-14)18-20-16(19)17-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,17,19)/b18-13-
InChIKey
KLDPELRNJQVVPB-AQTBWJFISA-N
Compound name
[(Z)-1-phenylpropan-2-ylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 162.2
[M+Na]+ 291.110418 166.7
[M-H]- 267.113924 169.7
[M+NH4]+ 286.155023 177.9
[M+K]+ 307.084358 164.1
[M+H-H2O]+ 251.118460 153.4
[M+HCOO]- 313.119401 188.3
[M+CH3COO]- 327.135051 202.6
[M+Na-2H]- 289.095866 168.0
[M]+ 268.12065142 162.3
[M]- 268.12174858 162.3
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.