CID 2817169

2-(2,5-dimethyl-1h-pyrrol-1-yl)-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC=C(N1N2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C14H12N2O2/c1-9-7-8-10(2)15(9)16-13(17)11-5-3-4-6-12(11)14(16)18/h3-8H,1-2H3
InChIKey
RVUWZDRJNKQOIG-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrrol-1-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

240.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.7
[M+Na]+ 263.079088 164.5
[M-H]- 239.082594 159.3
[M+NH4]+ 258.123693 173.0
[M+K]+ 279.053028 160.3
[M+H-H2O]+ 223.087130 146.0
[M+HCOO]- 285.088071 175.2
[M+CH3COO]- 299.103721 166.7
[M+Na-2H]- 261.064536 153.8
[M]+ 240.08932142 155.3
[M]- 240.09041858 155.3
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