CID 15955165

2-cyano-n-(5-methyl-2-{1-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-ethylamino}-4-oxo-4h-benzo[d][1,3]oxazin-6-yl)-benzamide

Structural Information

Molecular Formula
C29H28N6O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)C4=CC=CC=C4C#N
InChI
InChI=1S/C29H28N6O4/c1-18-22(32-25(36)21-11-6-5-9-19(21)17-30)12-13-23-24(18)26(37)39-28(33-23)34-29(2,3)27(38)35(4)16-14-20-10-7-8-15-31-20/h5-13,15H,14,16H2,1-4H3,(H,32,36)(H,33,34)
InChIKey
QLFDLWLQKZFILD-UHFFFAOYSA-N
Compound name
2-cyano-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]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.2172 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.22448 237.7
[M+Na]+ 547.20642 243.4
[M-H]- 523.20992 243.3
[M+NH4]+ 542.25102 237.9
[M+K]+ 563.18036 238.4
[M+H-H2O]+ 507.21446 218.0
[M+HCOO]- 569.21540 250.5
[M+CH3COO]- 583.23105 262.6
[M+Na-2H]- 545.19187 238.4
[M]+ 524.21665 234.9
[M]- 524.21775 234.9
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

No patent data available for this compound.