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
1
Annotation Hits

0
References

5
Patents

254.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 160.2
[M+Na]+ 277.13112 166.3
[M-H]- 253.13462 167.9
[M+NH4]+ 272.17572 177.0
[M+K]+ 293.10506 163.4
[M+H-H2O]+ 237.13916 152.0
[M+HCOO]- 299.14010 185.3
[M+CH3COO]- 313.15575 204.4
[M+Na-2H]- 275.11657 163.4
[M]+ 254.14135 159.6
[M]- 254.14245 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