CID 15955196

5-methyl-2-trifluoromethyl-furan-3-carboxylic acid (5-methyl-2-{1-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-ethylamino}-4-oxo-4h-benzo[d][1,3]oxazin-6-yl)-amide

Structural Information

Molecular Formula
C28H28F3N5O5
SMILES
CC1=CC(=C(O1)C(F)(F)F)C(=O)NC2=C(C3=C(C=C2)N=C(OC3=O)NC(C)(C)C(=O)N(C)CCC4=CC=CC=N4)C
InChI
InChI=1S/C28H28F3N5O5/c1-15-14-18(22(40-15)28(29,30)31)23(37)33-19-9-10-20-21(16(19)2)24(38)41-26(34-20)35-27(3,4)25(39)36(5)13-11-17-8-6-7-12-32-17/h6-10,12,14H,11,13H2,1-5H3,(H,33,37)(H,34,35)
InChIKey
CCHOQSQLGBPKNU-UHFFFAOYSA-N
Compound name
5-methyl-N-[5-methyl-2-[[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]-2-(trifluoromethyl)furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

571.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.21148 240.5
[M+Na]+ 594.19342 247.3
[M-H]- 570.19692 248.7
[M+NH4]+ 589.23802 241.3
[M+K]+ 610.16736 245.7
[M+H-H2O]+ 554.20146 227.3
[M+HCOO]- 616.20240 254.8
[M+CH3COO]- 630.21805 265.3
[M+Na-2H]- 592.17887 241.7
[M]+ 571.20365 245.5
[M]- 571.20475 245.5
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

patents stripe