CID 68377

Falimint

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CCCOC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C11H14N2O4/c1-3-6-17-11-5-4-9(13(15)16)7-10(11)12-8(2)14/h4-5,7H,3,6H2,1-2H3,(H,12,14)
InChIKey
OPTZOXDYEFIPJZ-UHFFFAOYSA-N
Compound name
N-(5-nitro-2-propoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1116
Patents

238.09535 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.0
[M+Na]+ 261.084568 157.2
[M-H]- 237.088074 154.8
[M+NH4]+ 256.129173 167.7
[M+K]+ 277.058508 151.9
[M+H-H2O]+ 221.092610 148.9
[M+HCOO]- 283.093551 176.7
[M+CH3COO]- 297.109201 188.9
[M+Na-2H]- 259.070016 156.9
[M]+ 238.09480142 151.8
[M]- 238.09589858 151.8
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