CID 3031766

78155-88-1

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC1=NC2=CC=CC=C2N(C1=O)CCCN(C)C
InChI
InChI=1S/C14H19N3O/c1-11-14(18)17(10-6-9-16(2)3)13-8-5-4-7-12(13)15-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKey
HDGMMAOSFCZVFT-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 156.9
[M+Na]+ 268.142038 165.9
[M-H]- 244.145544 160.3
[M+NH4]+ 263.186643 173.6
[M+K]+ 284.115978 162.8
[M+H-H2O]+ 228.150080 148.3
[M+HCOO]- 290.151021 178.9
[M+CH3COO]- 304.166671 202.2
[M+Na-2H]- 266.127486 163.2
[M]+ 245.15227142 160.7
[M]- 245.15336858 160.7
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.