CID 120816

Ys 3634

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCN(CC)C(C)CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O
InChI
InChI=1S/C22H31NO3/c1-6-23(7-2)17(3)16-22(24,18-11-9-8-10-12-18)20-15-19(25-4)13-14-21(20)26-5/h8-15,17,24H,6-7,16H2,1-5H3
InChIKey
OWKZTMFGXGSVMD-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(2,5-dimethoxyphenyl)-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 189.9
[M+Na]+ 380.21962 193.5
[M-H]- 356.22312 195.8
[M+NH4]+ 375.26422 202.2
[M+K]+ 396.19356 191.3
[M+H-H2O]+ 340.22766 181.2
[M+HCOO]- 402.22860 209.6
[M+CH3COO]- 416.24425 221.3
[M+Na-2H]- 378.20507 191.2
[M]+ 357.22985 194.4
[M]- 357.23095 194.4
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

No patent data available for this compound.