CID 4266917

329078-74-2

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CC1=C(C(=CC=C1)NC(=O)C(=O)NCC2=CC=CC=C2)C
InChI
InChI=1S/C17H18N2O2/c1-12-7-6-10-15(13(12)2)19-17(21)16(20)18-11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
UYMPYBDTZZWTEY-UHFFFAOYSA-N
Compound name
N-benzyl-N'-(2,3-dimethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.9
[M+Na]+ 305.12606 172.4
[M-H]- 281.12956 173.6
[M+NH4]+ 300.17066 182.0
[M+K]+ 321.10000 168.9
[M+H-H2O]+ 265.13410 158.7
[M+HCOO]- 327.13504 191.2
[M+CH3COO]- 341.15069 205.5
[M+Na-2H]- 303.11151 170.2
[M]+ 282.13629 166.4
[M]- 282.13739 166.4
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.