CID 899189

Acetamide, 2-(diethylamino)-n-(3-nitrophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCN(CC)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O3/c1-3-14(4-2)9-12(16)13-10-6-5-7-11(8-10)15(17)18/h5-8H,3-4,9H2,1-2H3,(H,13,16)
InChIKey
SAJLGYWTCZAPQD-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 156.3
[M+Na]+ 274.11622 160.5
[M-H]- 250.11972 160.9
[M+NH4]+ 269.16082 172.4
[M+K]+ 290.09016 155.8
[M+H-H2O]+ 234.12426 153.4
[M+HCOO]- 296.12520 182.9
[M+CH3COO]- 310.14085 197.1
[M+Na-2H]- 272.10167 161.8
[M]+ 251.12645 156.1
[M]- 251.12755 156.1
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