CID 79957

N-(4-amino-3-methylphenyl)-n-ethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

254.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 160.2
[M+Na]+ 277.131118 166.3
[M-H]- 253.134624 167.9
[M+NH4]+ 272.175723 177.0
[M+K]+ 293.105058 163.4
[M+H-H2O]+ 237.139160 152.0
[M+HCOO]- 299.140101 185.3
[M+CH3COO]- 313.155751 204.4
[M+Na-2H]- 275.116566 163.4
[M]+ 254.14135142 159.6
[M]- 254.14244858 159.6
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