CID 6482350

Chembl410120

Structural Information

Molecular Formula
C19H22N6O4
SMILES
C1CN(CN1CN2CCN(C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H22N6O4/c26-24(27)18-5-1-16(2-6-18)22-11-9-20(14-22)13-21-10-12-23(15-21)17-3-7-19(8-4-17)25(28)29/h1-8H,9-15H2
InChIKey
ITKLPKGARCEKOL-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-[[3-(4-nitrophenyl)imidazolidin-1-yl]methyl]imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.17026 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17754 193.5
[M+Na]+ 421.15948 194.0
[M-H]- 397.16298 200.9
[M+NH4]+ 416.20408 199.0
[M+K]+ 437.13342 181.7
[M+H-H2O]+ 381.16752 189.7
[M+HCOO]- 443.16846 210.1
[M+CH3COO]- 457.18411 209.7
[M+Na-2H]- 419.14493 196.6
[M]+ 398.16971 184.7
[M]- 398.17081 184.7
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.