CID 841943

56776-50-2

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2C)C
InChI
InChI=1S/C16H17NO/c1-11-8-6-10-15(13(11)3)17-16(18)14-9-5-4-7-12(14)2/h4-10H,1-3H3,(H,17,18)
InChIKey
VTRJOQZIBDZXDB-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

239.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 154.9
[M+Na]+ 262.120228 162.7
[M-H]- 238.123734 162.2
[M+NH4]+ 257.164833 172.6
[M+K]+ 278.094168 158.8
[M+H-H2O]+ 222.128270 147.6
[M+HCOO]- 284.129211 179.1
[M+CH3COO]- 298.144861 197.7
[M+Na-2H]- 260.105676 158.9
[M]+ 239.13046142 155.2
[M]- 239.13155858 155.2
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

patents stripe