CID 80734

3-amino-n-(2,4-dimethylphenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)N)C
InChI
InChI=1S/C16H18N2O/c1-10-4-7-15(12(3)8-10)18-16(19)13-6-5-11(2)14(17)9-13/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
RUEOLHBWSOMCKM-UHFFFAOYSA-N
Compound name
3-amino-N-(2,4-dimethylphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

254.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 160.1
[M+Na]+ 277.131118 168.0
[M-H]- 253.134624 167.2
[M+NH4]+ 272.175723 176.9
[M+K]+ 293.105058 163.8
[M+H-H2O]+ 237.139160 152.6
[M+HCOO]- 299.140101 184.6
[M+CH3COO]- 313.155751 203.5
[M+Na-2H]- 275.116566 162.6
[M]+ 254.14135142 159.1
[M]- 254.14244858 159.1
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

patents stripe