CID 3039114

1,3-indandione, 2,2'-(p-phenylene)bis(2-methylamino-, dihydrochloride

Structural Information

Molecular Formula
C26H20N2O4
SMILES
CNC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)C4(C(=O)C5=CC=CC=C5C4=O)NC
InChI
InChI=1S/C26H20N2O4/c1-27-25(21(29)17-7-3-4-8-18(17)22(25)30)15-11-13-16(14-12-15)26(28-2)23(31)19-9-5-6-10-20(19)24(26)32/h3-14,27-28H,1-2H3
InChIKey
IKAKHUXWEOIKFS-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-[4-[2-(methylamino)-1,3-dioxoinden-2-yl]phenyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14958 199.2
[M+Na]+ 447.13152 211.8
[M+NH4]+ 442.17612 209.2
[M+K]+ 463.10546 203.7
[M-H]- 423.13502 205.6
[M+Na-2H]- 445.11697 207.9
[M]+ 424.14175 203.0
[M]- 424.14285 203.0
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.