CID 494547

Nsc626660

Structural Information

Molecular Formula
C24H23N3O4
SMILES
CCN(C1C(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C24H23N3O4/c1-3-25(18-7-5-4-6-8-18)23-22(17-9-15-21(31-2)16-10-17)26(24(23)28)19-11-13-20(14-12-19)27(29)30/h4-16,22-23H,3H2,1-2H3
InChIKey
GCFVHYZHIZAETE-UHFFFAOYSA-N
Compound name
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-nitrophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16885 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 198.6
[M+Na]+ 440.15807 200.9
[M-H]- 416.16157 209.8
[M+NH4]+ 435.20267 199.4
[M+K]+ 456.13201 196.8
[M+H-H2O]+ 400.16611 184.1
[M+HCOO]- 462.16705 219.5
[M+CH3COO]- 476.18270 229.5
[M+Na-2H]- 438.14352 200.6
[M]+ 417.16830 206.7
[M]- 417.16940 206.7
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.