CID 2063558

357268-31-6

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O2/c1-12-7-9-14(10-8-12)18-16(20)15(19)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKey
GBUXNROKSSRFKQ-UHFFFAOYSA-N
Compound name
N-benzyl-N'-(4-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 162.3
[M+Na]+ 291.11042 167.3
[M-H]- 267.11392 168.8
[M+NH4]+ 286.15502 177.7
[M+K]+ 307.08436 163.9
[M+H-H2O]+ 251.11846 154.0
[M+HCOO]- 313.11940 186.9
[M+CH3COO]- 327.13505 201.3
[M+Na-2H]- 289.09587 166.9
[M]+ 268.12065 161.0
[M]- 268.12175 161.0
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.