CID 721309

3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-n-o-tolyl-propionamide

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16N2O3/c1-12-6-2-5-9-15(12)19-16(21)10-11-20-17(22)13-7-3-4-8-14(13)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKey
WHUQZIAUURXDAW-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 170.8
[M+Na]+ 331.10532 179.0
[M-H]- 307.10882 177.6
[M+NH4]+ 326.14992 186.8
[M+K]+ 347.07926 174.2
[M+H-H2O]+ 291.11336 162.7
[M+HCOO]- 353.11430 192.8
[M+CH3COO]- 367.12995 208.2
[M+Na-2H]- 329.09077 172.8
[M]+ 308.11555 172.3
[M]- 308.11665 172.3
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

No patent data available for this compound.