CID 88304

19896-17-4

Structural Information

Molecular Formula
C15H10N2O4
SMILES
CC1=C(C=CC=C1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
InChI
InChI=1S/C15H10N2O4/c1-9-10(16-12(18)5-6-13(16)19)3-2-4-11(9)17-14(20)7-8-15(17)21/h2-8H,1H3
InChIKey
LNAIBNHJQKDBNR-UHFFFAOYSA-N
Compound name
1-[3-(2,5-dioxopyrrol-1-yl)-2-methylphenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

635
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

No literature data available for this compound.

Patent stripe

patents stripe