CID 25195516

Cvt-12012

Structural Information

Molecular Formula
C21H21F3N4O3
SMILES
CC1=NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCNC(=O)CO
InChI
InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
InChIKey
HRAQDVZJYIAWOV-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

434.1566 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16388 202.6
[M+Na]+ 457.14582 210.2
[M-H]- 433.14932 202.6
[M+NH4]+ 452.19042 209.3
[M+K]+ 473.11976 203.5
[M+H-H2O]+ 417.15386 189.8
[M+HCOO]- 479.15480 217.0
[M+CH3COO]- 493.17045 232.6
[M+Na-2H]- 455.13127 205.3
[M]+ 434.15605 200.9
[M]- 434.15715 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe