CID 9912639

Chf-4227

Structural Information

Molecular Formula
C30H33NO4
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2)CC4=CC=C(C=C4)OCCN5CCCCC5
InChI
InChI=1S/C30H33NO4/c1-33-25-12-7-23(8-13-25)29-21-35-30-20-24(32)9-14-27(30)28(29)19-22-5-10-26(11-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,20,32H,2-4,15-19,21H2,1H3
InChIKey
ZUDXUNPSRMREOJ-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

333
Patents

471.24097 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.24825 218.8
[M+Na]+ 494.23019 221.4
[M-H]- 470.23369 228.2
[M+NH4]+ 489.27479 222.8
[M+K]+ 510.20413 216.2
[M+H-H2O]+ 454.23823 205.0
[M+HCOO]- 516.23917 230.4
[M+CH3COO]- 530.25482 224.4
[M+Na-2H]- 492.21564 218.2
[M]+ 471.24042 216.9
[M]- 471.24152 216.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe