CID 54322

Brn 4602393

Structural Information

Molecular Formula
C26H28N4O4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N=CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC
InChI
InChI=1S/C26H28N4O4/c1-19-4-8-22(9-5-19)28-12-14-29(15-13-28)23-10-6-21(7-11-23)27-18-20-16-25(33-2)26(34-3)17-24(20)30(31)32/h4-11,16-18H,12-15H2,1-3H3
InChIKey
AKNRJUDSDFCHNB-UHFFFAOYSA-N
Compound name
1-(4,5-dimethoxy-2-nitrophenyl)-N-[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.21106 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.21834 214.9
[M+Na]+ 483.20028 217.7
[M-H]- 459.20378 225.1
[M+NH4]+ 478.24488 218.8
[M+K]+ 499.17422 208.3
[M+H-H2O]+ 443.20832 204.9
[M+HCOO]- 505.20926 233.9
[M+CH3COO]- 519.22491 234.8
[M+Na-2H]- 481.18573 217.0
[M]+ 460.21051 212.8
[M]- 460.21161 212.8
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.