CID 22712661

13676-53-4

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1=CC(=CC(=C1)CN2C(=O)C=CC2=O)CN3C(=O)C=CC3=O
InChI
InChI=1S/C16H12N2O4/c19-13-4-5-14(20)17(13)9-11-2-1-3-12(8-11)10-18-15(21)6-7-16(18)22/h1-8H,9-10H2
InChIKey
LYCKDYZIIOVFCX-UHFFFAOYSA-N
Compound name
1-[[3-[(2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

931
Patents

296.0797 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 164.6
[M+Na]+ 319.06892 174.4
[M-H]- 295.07242 173.0
[M+NH4]+ 314.11352 180.6
[M+K]+ 335.04286 170.2
[M+H-H2O]+ 279.07696 156.5
[M+HCOO]- 341.07790 187.2
[M+CH3COO]- 355.09355 201.0
[M+Na-2H]- 317.05437 163.3
[M]+ 296.07915 166.4
[M]- 296.08025 166.4
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

patents stripe