CID 3046436

62071-48-1

Structural Information

Molecular Formula
C24H31NO4
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN3CCOCC3)O)C4=CC=CC=C4)C
InChI
InChI=1S/C24H31NO4/c1-24(2)15-22(18-6-4-3-5-7-18)21-9-8-20(14-23(21)29-24)28-17-19(26)16-25-10-12-27-13-11-25/h3-9,14,19,22,26H,10-13,15-17H2,1-2H3
InChIKey
MJTUFFMUVGMGKM-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

397.2253 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 199.4
[M+Na]+ 420.21452 202.0
[M-H]- 396.21802 206.6
[M+NH4]+ 415.25912 207.6
[M+K]+ 436.18846 200.1
[M+H-H2O]+ 380.22256 188.2
[M+HCOO]- 442.22350 209.0
[M+CH3COO]- 456.23915 206.4
[M+Na-2H]- 418.19997 200.9
[M]+ 397.22475 197.0
[M]- 397.22585 197.0
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