CID 5483916

17741-63-8

Structural Information

Molecular Formula
C40H34N6O8
SMILES
CCOC1=C(C=C2C(=C1)N=C3C(=C4C(=NC5=CC(=C(C=C5O4)NC(=O)C6=CC=CC=C6)OCC)C(=C3O2)NC(=O)C)NC(=O)C)NC(=O)C7=CC=CC=C7
InChI
InChI=1S/C40H34N6O8/c1-5-51-29-17-27-31(19-25(29)45-39(49)23-13-9-7-10-14-23)53-37-34(42-22(4)48)36-38(33(35(37)43-27)41-21(3)47)54-32-20-26(30(52-6-2)18-28(32)44-36)46-40(50)24-15-11-8-12-16-24/h7-20H,5-6H2,1-4H3,(H,41,47)(H,42,48)(H,45,49)(H,46,50)
InChIKey
RVIBUAHWQKVQEF-UHFFFAOYSA-N
Compound name
N-(6,13-diacetamido-3-benzamido-2,9-diethoxy-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

726.24384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.25112 262.2
[M+Na]+ 749.23306 267.0
[M+NH4]+ 744.27766 265.8
[M+K]+ 765.20700 267.2
[M-H]- 725.23656 261.3
[M+Na-2H]- 747.21851 280.9
[M]+ 726.24329 264.3
[M]- 726.24439 264.3
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