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
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 |