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 191.2
[M+Na]+ 412.16072 202.5
[M+NH4]+ 407.20532 195.8
[M+K]+ 428.13466 195.2
[M-H]- 388.16422 190.8
[M+Na-2H]- 410.14617 196.7
[M]+ 389.17095 192.6
[M]- 389.17205 192.6
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.