CID 15955214

N-[2-[[1,1-dimethyl-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]octanamide

Structural Information

Molecular Formula
C29H39N5O4
SMILES
CCCCCCCC(=O)NC1=C(C2=C(C=C1)N=C(OC2=O)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)C
InChI
InChI=1S/C29H39N5O4/c1-6-7-8-9-10-14-24(35)31-22-15-16-23-25(20(22)2)26(36)38-28(32-23)33-29(3,4)27(37)34(5)19-17-21-13-11-12-18-30-21/h11-13,15-16,18H,6-10,14,17,19H2,1-5H3,(H,31,35)(H,32,33)
InChIKey
SSAKNWJOQOFEGD-UHFFFAOYSA-N
Compound name
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]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

521.30023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.30751 235.1
[M+Na]+ 544.28945 237.4
[M-H]- 520.29295 240.8
[M+NH4]+ 539.33405 237.3
[M+K]+ 560.26339 234.7
[M+H-H2O]+ 504.29749 222.7
[M+HCOO]- 566.29843 251.4
[M+CH3COO]- 580.31408 260.0
[M+Na-2H]- 542.27490 236.3
[M]+ 521.29968 241.7
[M]- 521.30078 241.7
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