CID 574394

110345-39-6

Structural Information

Molecular Formula
C22H28FNO2
SMILES
COC1=C(C=C(C=C1)C(C(CN2CCCCCC2)C3=CC=CC=C3)O)F
InChI
InChI=1S/C22H28FNO2/c1-26-21-12-11-18(15-20(21)23)22(25)19(17-9-5-4-6-10-17)16-24-13-7-2-3-8-14-24/h4-6,9-12,15,19,22,25H,2-3,7-8,13-14,16H2,1H3
InChIKey
DUCPMFSDYMOYQG-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.21042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21770 183.6
[M+Na]+ 380.19964 184.6
[M-H]- 356.20314 188.7
[M+NH4]+ 375.24424 192.7
[M+K]+ 396.17358 184.7
[M+H-H2O]+ 340.20768 174.1
[M+HCOO]- 402.20862 196.6
[M+CH3COO]- 416.22427 213.5
[M+Na-2H]- 378.18509 182.1
[M]+ 357.20987 175.8
[M]- 357.21097 175.8
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.