CID 15955209

Schembl6634056

Structural Information

Molecular Formula
C30H33N5O6
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(=C4)OC)OC
InChI
InChI=1S/C30H33N5O6/c1-18-23(32-26(36)19-15-21(39-5)17-22(16-19)40-6)10-11-24-25(18)27(37)41-29(33-24)34-30(2,3)28(38)35(4)14-12-20-9-7-8-13-31-20/h7-11,13,15-17H,12,14H2,1-6H3,(H,32,36)(H,33,34)
InChIKey
DGXCZLOHYJPMFC-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-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

2
Patents

559.2431 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.25038 239.2
[M+Na]+ 582.23232 243.0
[M-H]- 558.23582 249.0
[M+NH4]+ 577.27692 239.3
[M+K]+ 598.20626 242.1
[M+H-H2O]+ 542.24036 225.7
[M+HCOO]- 604.24130 256.2
[M+CH3COO]- 618.25695 266.2
[M+Na-2H]- 580.21777 241.6
[M]+ 559.24255 246.8
[M]- 559.24365 246.8
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