CID 3427706

3-(4-ethoxyanilino)-1-(4-fluorophenyl)-1-propanol

Structural Information

Molecular Formula
C17H20FNO2
SMILES
CCOC1=CC=C(C=C1)NCCC(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C17H20FNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,19-20H,2,11-12H2,1H3
InChIKey
QLDICCDOPKTAMN-UHFFFAOYSA-N
Compound name
3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

289.1478 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15508 167.3
[M+Na]+ 312.13702 172.8
[M-H]- 288.14052 171.0
[M+NH4]+ 307.18162 181.7
[M+K]+ 328.11096 168.4
[M+H-H2O]+ 272.14506 158.4
[M+HCOO]- 334.14600 188.5
[M+CH3COO]- 348.16165 203.3
[M+Na-2H]- 310.12247 170.4
[M]+ 289.14725 166.8
[M]- 289.14835 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe