CID 80893

6422-83-9

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
InChI
InChI=1S/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3
InChIKey
FJKKJQRXSPFNPM-UHFFFAOYSA-N
Compound name
1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2033
Patents

282.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 159.6
[M+Na]+ 305.053278 170.8
[M-H]- 281.056784 168.6
[M+NH4]+ 300.097883 176.6
[M+K]+ 321.027218 166.8
[M+H-H2O]+ 265.061320 152.1
[M+HCOO]- 327.062261 182.6
[M+CH3COO]- 341.077911 199.3
[M+Na-2H]- 303.038726 158.2
[M]+ 282.06351142 161.6
[M]- 282.06460858 161.6
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

patents stripe