CID 3053348

69816-26-8

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C)O)C4=CC=CC=C4)C
InChI
InChI=1S/C25H34N2O3/c1-25(2)16-23(19-7-5-4-6-8-19)22-10-9-21(15-24(22)30-25)29-18-20(28)17-27-13-11-26(3)12-14-27/h4-10,15,20,23,28H,11-14,16-18H2,1-3H3
InChIKey
XROCBDFEMKGJPC-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.25696 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 204.8
[M+Na]+ 433.24618 218.0
[M+NH4]+ 428.29078 213.2
[M+K]+ 449.22012 208.2
[M-H]- 409.24968 211.3
[M+Na-2H]- 431.23163 211.4
[M]+ 410.25641 208.7
[M]- 410.25751 208.7
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

patents stripe