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]+ 346.155016 182.0
[M+Na]+ 368.136958 186.2
[M-H]- 344.140464 191.7
[M+NH4]+ 363.181563 192.0
[M+K]+ 384.110898 176.0
[M+H-H2O]+ 328.145000 174.7
[M+HCOO]- 390.145941 202.4
[M+CH3COO]- 404.161591 206.0
[M+Na-2H]- 366.122406 185.6
[M]+ 345.14719142 176.6
[M]- 345.14828858 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.