CID 54319

Brn 4604730

Structural Information

Molecular Formula
C26H28N4O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)N=CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC
InChI
InChI=1S/C26H28N4O4/c1-19-6-4-5-7-23(19)29-14-12-28(13-15-29)22-10-8-21(9-11-22)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
JBMVKKJVGQQCTG-UHFFFAOYSA-N
Compound name
1-(4,5-dimethoxy-2-nitrophenyl)-N-[4-[4-(2-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]+ 461.218336 214.9
[M+Na]+ 483.200278 217.7
[M-H]- 459.203784 225.1
[M+NH4]+ 478.244883 218.8
[M+K]+ 499.174218 208.3
[M+H-H2O]+ 443.208320 204.9
[M+HCOO]- 505.209261 233.9
[M+CH3COO]- 519.224911 234.8
[M+Na-2H]- 481.185726 217.0
[M]+ 460.21051142 212.8
[M]- 460.21160858 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.