CID 60491

Iem-248

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CCN(CC)CC(=O)NC1=CC(=C(C=C1C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H21N3O3/c1-5-16(6-2)9-14(18)15-12-8-13(17(19)20)11(4)7-10(12)3/h7-8H,5-6,9H2,1-4H3,(H,15,18)
InChIKey
MVDXUJGLVDWFHT-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.165576 165.2
[M+Na]+ 302.147518 170.4
[M-H]- 278.151024 170.2
[M+NH4]+ 297.192123 180.8
[M+K]+ 318.121458 165.3
[M+H-H2O]+ 262.155560 162.4
[M+HCOO]- 324.156501 191.1
[M+CH3COO]- 338.172151 205.5
[M+Na-2H]- 300.132966 168.4
[M]+ 279.15775142 166.5
[M]- 279.15884858 166.5
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.