CID 3088398

Brn 5361717

Structural Information

Molecular Formula
C21H22F3N3O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H22F3N3O/c1-26(2)11-6-12-27-19-10-9-16(21(22,23)24)14-17(19)25-18(20(27)28)13-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3
InChIKey
OXYRFBZVWYYLAY-UHFFFAOYSA-N
Compound name
3-benzyl-1-[3-(dimethylamino)propyl]-6-(trifluoromethyl)quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1715 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17878 194.8
[M+Na]+ 412.16072 203.4
[M-H]- 388.16422 197.0
[M+NH4]+ 407.20532 205.0
[M+K]+ 428.13466 197.0
[M+H-H2O]+ 372.16876 181.4
[M+HCOO]- 434.16970 210.6
[M+CH3COO]- 448.18535 227.7
[M+Na-2H]- 410.14617 197.8
[M]+ 389.17095 194.8
[M]- 389.17205 194.8
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.