CID 6447689

4-morpholineethanol, alpha-(p-(2-propynyloxy)styryl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NO3
SMILES
C#CCOC1=CC=C(C=C1)/C=C/C(CN2CCOCC2)O
InChI
InChI=1S/C17H21NO3/c1-2-11-21-17-7-4-15(5-8-17)3-6-16(19)14-18-9-12-20-13-10-18/h1,3-8,16,19H,9-14H2/b6-3+
InChIKey
ULWSWOVUCIINKF-ZZXKWVIFSA-N
Compound name
(E)-1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 170.9
[M+Na]+ 310.14135 181.7
[M+NH4]+ 305.18595 173.9
[M+K]+ 326.11529 172.2
[M-H]- 286.14485 165.9
[M+Na-2H]- 308.12680 172.3
[M]+ 287.15158 170.0
[M]- 287.15268 170.0
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.