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

884
Patents

296.0797 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.086976 164.6
[M+Na]+ 319.068918 174.4
[M-H]- 295.072424 173.0
[M+NH4]+ 314.113523 180.6
[M+K]+ 335.042858 170.2
[M+H-H2O]+ 279.076960 156.5
[M+HCOO]- 341.077901 187.2
[M+CH3COO]- 355.093551 201.0
[M+Na-2H]- 317.054366 163.3
[M]+ 296.07915142 166.4
[M]- 296.08024858 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