CID 198863

Acetamide, n-(2-(diethylamino)ethyl)-2-(4-nitrophenoxy)-, monohydrochloride

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CCN(CC)CCNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H21N3O4/c1-3-16(4-2)10-9-15-14(18)11-21-13-7-5-12(6-8-13)17(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKey
OOJUQSOXMJPIKU-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 168.6
[M+Na]+ 318.14242 171.7
[M-H]- 294.14592 172.8
[M+NH4]+ 313.18702 182.8
[M+K]+ 334.11636 167.1
[M+H-H2O]+ 278.15046 165.0
[M+HCOO]- 340.15140 194.7
[M+CH3COO]- 354.16705 205.2
[M+Na-2H]- 316.12787 173.3
[M]+ 295.15265 170.5
[M]- 295.15375 170.5
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

patents stripe