CID 101321

N-(2,6-dimethylphenyl)benzamide

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H15NO/c1-11-7-6-8-12(2)14(11)16-15(17)13-9-4-3-5-10-13/h3-10H,1-2H3,(H,16,17)
InChIKey
QGUFWIMSJMAPET-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

225.11537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 150.6
[M+Na]+ 248.10459 157.9
[M-H]- 224.10809 157.7
[M+NH4]+ 243.14919 168.6
[M+K]+ 264.07853 154.2
[M+H-H2O]+ 208.11263 143.3
[M+HCOO]- 270.11357 175.2
[M+CH3COO]- 284.12922 193.5
[M+Na-2H]- 246.09004 155.9
[M]+ 225.11482 150.2
[M]- 225.11592 150.2
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