CID 208230

31804-94-1

Structural Information

Molecular Formula
C30H32N2O4
SMILES
COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CCCN4CCN(CC4)C5=CC=CC=C5OC
InChI
InChI=1S/C30H32N2O4/c1-35-23-14-12-22(13-15-23)30(28(33)24-8-3-4-9-25(24)29(30)34)16-7-17-31-18-20-32(21-19-31)26-10-5-6-11-27(26)36-2/h3-6,8-15H,7,16-21H2,1-2H3
InChIKey
JMQWXLHJZLBFBW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2362 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24348 222.0
[M+Na]+ 507.22542 227.2
[M-H]- 483.22892 231.9
[M+NH4]+ 502.27002 230.3
[M+K]+ 523.19936 220.6
[M+H-H2O]+ 467.23346 208.7
[M+HCOO]- 529.23440 236.1
[M+CH3COO]- 543.25005 228.7
[M+Na-2H]- 505.21087 218.8
[M]+ 484.23565 222.2
[M]- 484.23675 222.2
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.