CID 6446648

Metostilenol hydrochloride

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=CC=C(C=C1)/C=C/C(CN2CCOCC2)O
InChI
InChI=1S/C15H21NO3/c1-18-15-6-3-13(4-7-15)2-5-14(17)12-16-8-10-19-11-9-16/h2-7,14,17H,8-12H2,1H3/b5-2+
InChIKey
JIQSYJYZZDCLEF-GORDUTHDSA-N
Compound name
(E)-4-(4-methoxyphenyl)-1-morpholin-4-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

263.15213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 163.2
[M+Na]+ 286.14135 174.4
[M+NH4]+ 281.18595 170.0
[M+K]+ 302.11529 168.3
[M-H]- 262.14485 166.7
[M+Na-2H]- 284.12680 168.3
[M]+ 263.15158 165.5
[M]- 263.15268 165.5
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