CID 24994543

(1s)-2-(benzylamino)-1-[(2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl]ethanol

Structural Information

Molecular Formula
C18H20FNO2
SMILES
C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNCC3=CC=CC=C3)O
InChI
InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m0/s1
InChIKey
UWHPUMRASBVSQY-FUHWJXTLSA-N
Compound name
(1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

301.1478 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15508 169.5
[M+Na]+ 324.13702 174.1
[M-H]- 300.14052 174.1
[M+NH4]+ 319.18162 182.8
[M+K]+ 340.11096 170.2
[M+H-H2O]+ 284.14506 160.3
[M+HCOO]- 346.14600 186.4
[M+CH3COO]- 360.16165 204.8
[M+Na-2H]- 322.12247 174.1
[M]+ 301.14725 165.9
[M]- 301.14835 165.9
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