CID 28722906

5-amino-n-benzyl-2-chloro-n-ethylbenzamide

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CCN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C16H17ClN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-10-13(18)8-9-15(14)17/h3-10H,2,11,18H2,1H3
InChIKey
AEJKTUVFAFYFBB-UHFFFAOYSA-N
Compound name
5-amino-N-benzyl-2-chloro-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 167.5
[M+Na]+ 311.09216 174.4
[M-H]- 287.09566 174.9
[M+NH4]+ 306.13676 183.7
[M+K]+ 327.06610 169.6
[M+H-H2O]+ 271.10020 160.1
[M+HCOO]- 333.10114 188.0
[M+CH3COO]- 347.11679 208.0
[M+Na-2H]- 309.07761 170.2
[M]+ 288.10239 169.3
[M]- 288.10349 169.3
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

No patent data available for this compound.