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]+ 398.232576 199.4
[M+Na]+ 420.214518 202.0
[M-H]- 396.218024 206.6
[M+NH4]+ 415.259123 207.6
[M+K]+ 436.188458 200.1
[M+H-H2O]+ 380.222560 188.2
[M+HCOO]- 442.223501 209.0
[M+CH3COO]- 456.239151 206.4
[M+Na-2H]- 418.199966 200.9
[M]+ 397.22475142 197.0
[M]- 397.22584858 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