CID 4165016

477333-92-9

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O3/c24-21(13-14-22-19-7-4-8-20(15-19)23(25)26)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2
InChIKey
CICDFKKRNUNKHI-UHFFFAOYSA-N
Compound name
3-(3-nitroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13174 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 181.7
[M+Na]+ 369.12096 185.1
[M-H]- 345.12446 190.6
[M+NH4]+ 364.16556 192.4
[M+K]+ 385.09490 176.0
[M+H-H2O]+ 329.12900 175.9
[M+HCOO]- 391.12994 206.0
[M+CH3COO]- 405.14559 209.6
[M+Na-2H]- 367.10641 187.2
[M]+ 346.13119 179.3
[M]- 346.13229 179.3
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.