CID 3061195

78808-04-5

Structural Information

Molecular Formula
C25H26N2O4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC3COC4=C(C3=O)C5=C(C=C4)C(=CC(=O)O5)C
InChI
InChI=1S/C25H26N2O4/c1-16-3-5-19(6-4-16)27-11-9-26(10-12-27)14-18-15-30-21-8-7-20-17(2)13-22(28)31-25(20)23(21)24(18)29/h3-8,13,18H,9-12,14-15H2,1-2H3
InChIKey
NOIQBSPHPSOASI-UHFFFAOYSA-N
Compound name
4-methyl-9-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-8,9-dihydropyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18927 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19655 203.4
[M+Na]+ 441.17849 220.3
[M+NH4]+ 436.22309 210.8
[M+K]+ 457.15243 211.7
[M-H]- 417.18199 212.3
[M+Na-2H]- 439.16394 208.7
[M]+ 418.18872 208.6
[M]- 418.18982 208.6
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.