CID 682204

3-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)-n-(3-methylphenyl)propanamide

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16N2O3/c1-12-5-4-6-13(11-12)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKey
NOGBMKVETSMADM-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)-N-(3-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]+ 309.123376 170.8
[M+Na]+ 331.105318 179.0
[M-H]- 307.108824 177.6
[M+NH4]+ 326.149923 186.8
[M+K]+ 347.079258 174.2
[M+H-H2O]+ 291.113360 162.7
[M+HCOO]- 353.114301 192.8
[M+CH3COO]- 367.129951 208.2
[M+Na-2H]- 329.090766 172.8
[M]+ 308.11555142 172.3
[M]- 308.11664858 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.