CID 52817

73941-42-1

Structural Information

Molecular Formula
C21H19N3O2
SMILES
C1CN(C(N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O2/c25-24(26)20-13-7-8-17(16-20)21-22(18-9-3-1-4-10-18)14-15-23(21)19-11-5-2-6-12-19/h1-13,16,21H,14-15H2
InChIKey
HIIHAYFNKUFGER-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-1,3-diphenylimidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.14774 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 182.0
[M+Na]+ 368.13696 186.2
[M-H]- 344.14046 191.7
[M+NH4]+ 363.18156 192.0
[M+K]+ 384.11090 176.0
[M+H-H2O]+ 328.14500 174.7
[M+HCOO]- 390.14594 202.4
[M+CH3COO]- 404.16159 206.0
[M+Na-2H]- 366.12241 185.6
[M]+ 345.14719 176.6
[M]- 345.14829 176.6
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

No patent data available for this compound.