CID 487521

3-chloro-n-(2-diethylaminoethyl)-5-nitro-benzamide

Structural Information

Molecular Formula
C13H18ClN3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H18ClN3O3/c1-3-16(4-2)6-5-15-13(18)10-7-11(14)9-12(8-10)17(19)20/h7-9H,3-6H2,1-2H3,(H,15,18)
InChIKey
ZTWJMYKZSWSDPI-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(diethylamino)ethyl]-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11095 168.9
[M+Na]+ 322.09289 174.0
[M-H]- 298.09639 173.3
[M+NH4]+ 317.13749 184.2
[M+K]+ 338.06683 167.4
[M+H-H2O]+ 282.10093 167.1
[M+HCOO]- 344.10187 190.6
[M+CH3COO]- 358.11752 204.9
[M+Na-2H]- 320.07834 172.5
[M]+ 299.10312 171.6
[M]- 299.10422 171.6
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

No patent data available for this compound.