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]+ 364.201946 190.0
[M+Na]+ 386.183888 197.2
[M-H]- 362.187394 195.9
[M+NH4]+ 381.228493 201.0
[M+K]+ 402.157828 192.2
[M+H-H2O]+ 346.191930 178.9
[M+HCOO]- 408.192871 209.7
[M+CH3COO]- 422.208521 225.2
[M+Na-2H]- 384.169336 192.6
[M]+ 363.19412142 194.2
[M]- 363.19521858 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.