CID 126764

143745-81-7

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCC1=C(C=C(C(=O)N1)NCN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H17N3O3/c1-3-13-10(2)8-14(15(21)19-13)18-9-20-16(22)11-6-4-5-7-12(11)17(20)23/h4-8,18H,3,9H2,1-2H3,(H,19,21)
InChIKey
QOUSSLJUEXJDBB-UHFFFAOYSA-N
Compound name
2-[[(6-ethyl-5-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

311.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 171.9
[M+Na]+ 334.11620 182.1
[M-H]- 310.11970 176.7
[M+NH4]+ 329.16080 186.4
[M+K]+ 350.09014 176.0
[M+H-H2O]+ 294.12424 163.7
[M+HCOO]- 356.12518 192.3
[M+CH3COO]- 370.14083 208.1
[M+Na-2H]- 332.10165 173.7
[M]+ 311.12643 173.2
[M]- 311.12753 173.2
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

patents stripe