CID 3104048

852715-88-9

Structural Information

Molecular Formula
C26H22N2O6
SMILES
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=C(C=C6)OC
InChI
InChI=1S/C26H22N2O6/c1-33-15-7-3-13(4-8-15)27-23(29)19-17-11-12-18(20(19)24(27)30)22-21(17)25(31)28(26(22)32)14-5-9-16(34-2)10-6-14/h3-12,17-22H,1-2H3
InChIKey
XJVPSXCUYRESEV-UHFFFAOYSA-N
Compound name
4,10-bis(4-methoxyphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15508 201.1
[M+Na]+ 481.13702 207.0
[M-H]- 457.14052 207.7
[M+NH4]+ 476.18162 214.7
[M+K]+ 497.11096 202.6
[M+H-H2O]+ 441.14506 191.9
[M+HCOO]- 503.14600 209.8
[M+CH3COO]- 517.16165 208.8
[M+Na-2H]- 479.12247 198.8
[M]+ 458.14725 206.7
[M]- 458.14835 206.7
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

No patent data available for this compound.