CID 22627096

2-(2-(2-methyl-1h-imidazol-5-yl)ethyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC1=NC=C(N1)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13N3O2/c1-9-15-8-10(16-9)6-7-17-13(18)11-4-2-3-5-12(11)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKey
QTGYNKYZRZATJB-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 158.2
[M+Na]+ 278.08999 168.6
[M-H]- 254.09349 161.6
[M+NH4]+ 273.13459 175.4
[M+K]+ 294.06393 163.4
[M+H-H2O]+ 238.09803 150.3
[M+HCOO]- 300.09897 177.9
[M+CH3COO]- 314.11462 170.3
[M+Na-2H]- 276.07544 159.2
[M]+ 255.10022 159.0
[M]- 255.10132 159.0
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