CID 3031762

78155-92-7

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1=NC2=C(C=CC(=C2)C(=O)C)N(C1=O)CCCN(C)C
InChI
InChI=1S/C16H21N3O2/c1-11-16(21)19(9-5-8-18(3)4)15-7-6-13(12(2)20)10-14(15)17-11/h6-7,10H,5,8-9H2,1-4H3
InChIKey
AUUIKMYQRQGCDQ-UHFFFAOYSA-N
Compound name
6-acetyl-1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 167.6
[M+Na]+ 310.15262 176.6
[M-H]- 286.15612 171.2
[M+NH4]+ 305.19722 182.6
[M+K]+ 326.12656 173.6
[M+H-H2O]+ 270.16066 159.0
[M+HCOO]- 332.16160 188.3
[M+CH3COO]- 346.17725 211.6
[M+Na-2H]- 308.13807 171.1
[M]+ 287.16285 172.7
[M]- 287.16395 172.7
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.