CID 46785856

858512-76-2

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC1=NC=CN1CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13N3O2/c1-10-15-6-7-16(10)8-9-17-13(18)11-4-2-3-5-12(11)14(17)19/h2-7H,8-9H2,1H3
InChIKey
YJKVPVDNBHRYDZ-UHFFFAOYSA-N
Compound name
2-[2-(2-methylimidazol-1-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 158.3
[M+Na]+ 278.08999 171.2
[M+NH4]+ 273.13459 165.4
[M+K]+ 294.06393 168.4
[M-H]- 254.09349 159.8
[M+Na-2H]- 276.07544 163.4
[M]+ 255.10022 160.4
[M]- 255.10132 160.4
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