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

5
Patents

383.24603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 197.7
[M+Na]+ 406.235248 201.4
[M-H]- 382.238754 204.6
[M+NH4]+ 401.279853 210.5
[M+K]+ 422.209188 199.3
[M+H-H2O]+ 366.243290 188.6
[M+HCOO]- 428.244231 214.0
[M+CH3COO]- 442.259881 226.1
[M+Na-2H]- 404.220696 199.2
[M]+ 383.24548142 200.4
[M]- 383.24657858 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