CID 3863937

868256-39-7

Structural Information

Molecular Formula
C22H20N2O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20N2O4/c1-28-22-12-11-19(24(26)27)15-20(22)23-14-13-21(25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,15,23H,13-14H2,1H3
InChIKey
ZCFMMJMANBYRND-UHFFFAOYSA-N
Compound name
3-(2-methoxy-5-nitroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 189.7
[M+Na]+ 399.13152 204.7
[M+NH4]+ 394.17612 196.8
[M+K]+ 415.10546 198.9
[M-H]- 375.13502 197.7
[M+Na-2H]- 397.11697 199.7
[M]+ 376.14175 194.0
[M]- 376.14285 194.0
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.