CID 6482975

O-methyltembamide

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(21-2)12-18-17(19)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKey
GASAZUPHPROROJ-MRXNPFEDSA-N
Compound name
N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.9
[M+Na]+ 308.12572 171.8
[M-H]- 284.12922 173.2
[M+NH4]+ 303.17032 181.8
[M+K]+ 324.09966 169.3
[M+H-H2O]+ 268.13376 158.5
[M+HCOO]- 330.13470 190.1
[M+CH3COO]- 344.15035 203.4
[M+Na-2H]- 306.11117 170.6
[M]+ 285.13595 168.9
[M]- 285.13705 168.9
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

No patent data available for this compound.