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 157.7
[M+Na]+ 278.08999 168.5
[M-H]- 254.09349 162.4
[M+NH4]+ 273.13459 175.5
[M+K]+ 294.06393 164.1
[M+H-H2O]+ 238.09803 149.5
[M+HCOO]- 300.09897 178.8
[M+CH3COO]- 314.11462 170.4
[M+Na-2H]- 276.07544 159.1
[M]+ 255.10022 160.3
[M]- 255.10132 160.3
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