CID 3053346

69816-25-7

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCN(CC)CC(COC1=CC2=C(C=C1)C(CC(O2)(C)C)C3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO3/c1-5-25(6-2)16-19(26)17-27-20-12-13-21-22(18-10-8-7-9-11-18)15-24(3,4)28-23(21)14-20/h7-14,19,22,26H,5-6,15-17H2,1-4H3
InChIKey
HEDWHASZFSRCQP-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.24603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 197.7
[M+Na]+ 406.23525 201.4
[M-H]- 382.23875 204.6
[M+NH4]+ 401.27985 210.5
[M+K]+ 422.20919 199.3
[M+H-H2O]+ 366.24329 188.6
[M+HCOO]- 428.24423 214.0
[M+CH3COO]- 442.25988 226.1
[M+Na-2H]- 404.22070 199.2
[M]+ 383.24548 200.4
[M]- 383.24658 200.4
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