CID 3070536

Rg-1

Structural Information

Molecular Formula
C34H34N2O9
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C3=CC=CC=C3OC4=CC=CC=C42)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C34H34N2O9/c1-39-27-17-21(18-28(40-2)31(27)43-5)33(37)35-15-16-36(34(38)22-19-29(41-3)32(44-6)30(20-22)42-4)24-12-8-10-14-26(24)45-25-13-9-7-11-23(25)35/h7-14,17-20H,15-16H2,1-6H3
InChIKey
YVYIIQVQWIOHJG-UHFFFAOYSA-N
Compound name
[12-(3,4,5-trimethoxybenzoyl)-2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.22644 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.23372 223.5
[M+Na]+ 637.21566 225.3
[M+NH4]+ 632.26026 223.4
[M+K]+ 653.18960 221.9
[M-H]- 613.21916 224.1
[M+Na-2H]- 635.20111 221.0
[M]+ 614.22589 224.0
[M]- 614.22699 224.0
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.