CID 292275

2'-methoxy-4'-nitrobutyranilide

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C11H14N2O4/c1-3-4-11(14)12-9-6-5-8(13(15)16)7-10(9)17-2/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKey
QYTAXIIQSIQLGK-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4-nitrophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.09535 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe