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]+ 288.170676 167.6
[M+Na]+ 310.152618 176.6
[M-H]- 286.156124 171.2
[M+NH4]+ 305.197223 182.6
[M+K]+ 326.126558 173.6
[M+H-H2O]+ 270.160660 159.0
[M+HCOO]- 332.161601 188.3
[M+CH3COO]- 346.177251 211.6
[M+Na-2H]- 308.138066 171.1
[M]+ 287.16285142 172.7
[M]- 287.16394858 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.