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]+ 269.12848 162.2
[M+Na]+ 291.11042 166.7
[M-H]- 267.11392 169.7
[M+NH4]+ 286.15502 177.9
[M+K]+ 307.08436 164.1
[M+H-H2O]+ 251.11846 153.4
[M+HCOO]- 313.11940 188.3
[M+CH3COO]- 327.13505 202.6
[M+Na-2H]- 289.09587 168.0
[M]+ 268.12065 162.3
[M]- 268.12175 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.