CID 136075845

2,4(1h,3h)-quinolinedione, 3,3'-(1h-isoindole-1,3(2h)-diylidene)bis-

Structural Information

Molecular Formula
C26H15N3O4
SMILES
C1=CC=C2C(=C1)/C(=C/3\C(=O)C4=CC=CC=C4NC3=O)/N=C2C5=C(C6=CC=CC=C6NC5=O)O
InChI
InChI=1S/C26H15N3O4/c30-23-15-9-3-5-11-17(15)27-25(32)19(23)21-13-7-1-2-8-14(13)22(29-21)20-24(31)16-10-4-6-12-18(16)28-26(20)33/h1-12H,(H,27,32)(H2,28,31,33)/b21-19-
InChIKey
RXVZFAXEJXFEFO-VZCXRCSSSA-N
Compound name
(3Z)-3-[3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)isoindol-1-ylidene]-1H-quinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.10626 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11354 204.8
[M+Na]+ 456.09548 214.7
[M-H]- 432.09898 210.4
[M+NH4]+ 451.14008 212.3
[M+K]+ 472.06942 204.4
[M+H-H2O]+ 416.10352 193.5
[M+HCOO]- 478.10446 215.3
[M+CH3COO]- 492.12011 211.9
[M+Na-2H]- 454.08093 205.4
[M]+ 433.10571 201.3
[M]- 433.10681 201.3
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.