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]+ 252.134276 156.3
[M+Na]+ 274.116218 160.5
[M-H]- 250.119724 160.9
[M+NH4]+ 269.160823 172.4
[M+K]+ 290.090158 155.8
[M+H-H2O]+ 234.124260 153.4
[M+HCOO]- 296.125201 182.9
[M+CH3COO]- 310.140851 197.1
[M+Na-2H]- 272.101666 161.8
[M]+ 251.12645142 156.1
[M]- 251.12754858 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