CID 16770890

4-amino-2-chloro-n,n-diethylbenzamide

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCN(CC)C(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4,13H2,1-2H3
InChIKey
RJFITOJPVXDCPN-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.0873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.094576 150.9
[M+Na]+ 249.076518 158.7
[M-H]- 225.080024 155.6
[M+NH4]+ 244.121123 170.2
[M+K]+ 265.050458 155.6
[M+H-H2O]+ 209.084560 145.3
[M+HCOO]- 271.085501 171.6
[M+CH3COO]- 285.101151 197.4
[M+Na-2H]- 247.061966 153.5
[M]+ 226.08675142 153.2
[M]- 226.08784858 153.2
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