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

6
Patents

267.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 160.7
[M+Na]+ 290.089988 168.0
[M-H]- 266.093494 163.8
[M+NH4]+ 285.134593 173.9
[M+K]+ 306.063928 162.3
[M+H-H2O]+ 250.098030 151.8
[M+HCOO]- 312.098971 177.7
[M+CH3COO]- 326.114621 170.9
[M+Na-2H]- 288.075436 165.3
[M]+ 267.10022142 155.5
[M]- 267.10131858 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