CID 51049

2-isoindolineacetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-1,3-dioxo-, trihydrochloride

Structural Information

Molecular Formula
C19H14N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H14N4O4/c24-16(9-23-18(26)12-5-1-2-6-13(12)19(23)27)21-11-22-10-20-15-8-4-3-7-14(15)17(22)25/h1-8,10H,9,11H2,(H,21,24)
InChIKey
NTERIYSTXAXJGN-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-[(4-oxoquinazolin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10878 182.6
[M+Na]+ 385.09072 192.2
[M-H]- 361.09422 187.9
[M+NH4]+ 380.13532 194.3
[M+K]+ 401.06466 186.4
[M+H-H2O]+ 345.09876 172.4
[M+HCOO]- 407.09970 201.3
[M+CH3COO]- 421.11535 192.7
[M+Na-2H]- 383.07617 186.3
[M]+ 362.10095 185.1
[M]- 362.10205 185.1
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

No patent data available for this compound.