CID 10683255

4-(4-aminobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O2/c16-11-7-5-10(6-8-11)15(20)18-9-14(19)17-12-3-1-2-4-13(12)18/h1-8H,9,16H2,(H,17,19)
InChIKey
RFSDXZPQSKURJR-UHFFFAOYSA-N
Compound name
4-(4-aminobenzoyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 160.7
[M+Na]+ 290.08999 168.0
[M-H]- 266.09349 163.8
[M+NH4]+ 285.13459 173.9
[M+K]+ 306.06393 162.3
[M+H-H2O]+ 250.09803 151.8
[M+HCOO]- 312.09897 177.7
[M+CH3COO]- 326.11462 170.9
[M+Na-2H]- 288.07544 165.3
[M]+ 267.10022 155.5
[M]- 267.10132 155.5
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