CID 3088399

117928-87-7

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)N=C(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3O/c1-23(2)11-6-12-24-19-10-9-16(21)14-17(19)22-18(20(24)25)13-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3
InChIKey
CSJOJFMCWSHKJX-UHFFFAOYSA-N
Compound name
3-benzyl-6-chloro-1-[3-(dimethylamino)propyl]quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.152416 185.4
[M+Na]+ 378.134358 194.5
[M-H]- 354.137864 191.3
[M+NH4]+ 373.178963 198.0
[M+K]+ 394.108298 187.8
[M+H-H2O]+ 338.142400 175.1
[M+HCOO]- 400.143341 201.8
[M+CH3COO]- 414.158991 220.6
[M+Na-2H]- 376.119806 189.6
[M]+ 355.14459142 191.1
[M]- 355.14568858 191.1
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.