CID 15955195

5-tert-butyl-2-methyl-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
C31H37N5O5
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)C4=C(OC(=C4)C(C)(C)C)C
InChI
InChI=1S/C31H37N5O5/c1-18-22(33-26(37)21-17-24(30(3,4)5)40-19(21)2)12-13-23-25(18)27(38)41-29(34-23)35-31(6,7)28(39)36(8)16-14-20-11-9-10-15-32-20/h9-13,15,17H,14,16H2,1-8H3,(H,33,37)(H,34,35)
InChIKey
TVEQQWUDJLOZPT-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-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]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

559.2795 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.28678 243.9
[M+Na]+ 582.26872 249.0
[M-H]- 558.27222 255.6
[M+NH4]+ 577.31332 245.3
[M+K]+ 598.24266 248.6
[M+H-H2O]+ 542.27676 233.0
[M+HCOO]- 604.27770 260.3
[M+CH3COO]- 618.29335 266.3
[M+Na-2H]- 580.25417 245.5
[M]+ 559.27895 252.9
[M]- 559.28005 252.9
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