CID 53122

Brn 3343899

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

251.127 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe