CID 3088396

Brn 5358493

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=CC=C3)CCCN(C)C
InChI
InChI=1S/C22H25N3O2/c1-16(26)18-10-11-21-19(15-18)23-20(14-17-8-5-4-6-9-17)22(27)25(21)13-7-12-24(2)3/h4-6,8-11,15H,7,12-14H2,1-3H3
InChIKey
TTXLPTXYOBBRQS-UHFFFAOYSA-N
Compound name
6-acetyl-3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.0
[M+Na]+ 386.18389 197.2
[M-H]- 362.18739 195.9
[M+NH4]+ 381.22849 201.0
[M+K]+ 402.15783 192.2
[M+H-H2O]+ 346.19193 178.9
[M+HCOO]- 408.19287 209.7
[M+CH3COO]- 422.20852 225.2
[M+Na-2H]- 384.16934 192.6
[M]+ 363.19412 194.2
[M]- 363.19522 194.2
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.