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]+ 411.264236 205.0
[M+Na]+ 433.246178 208.0
[M-H]- 409.249684 210.2
[M+NH4]+ 428.290783 212.9
[M+K]+ 449.220118 203.9
[M+H-H2O]+ 393.254220 192.9
[M+HCOO]- 455.255161 213.6
[M+CH3COO]- 469.270811 211.1
[M+Na-2H]- 431.231626 204.6
[M]+ 410.25641142 201.7
[M]- 410.25750858 201.7
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