CID 6446648

Metostilenol

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
2
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]+ 264.159406 162.9
[M+Na]+ 286.141348 166.5
[M-H]- 262.144854 166.1
[M+NH4]+ 281.185953 175.6
[M+K]+ 302.115288 164.4
[M+H-H2O]+ 246.149390 154.4
[M+HCOO]- 308.150331 178.7
[M+CH3COO]- 322.165981 192.8
[M+Na-2H]- 284.126796 165.8
[M]+ 263.15158142 160.5
[M]- 263.15267858 160.5
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