CID 251551

21594-84-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CN1CCN(CC1)CC2=C(C(=CC(=C2)CC=C)OC)O
InChI
InChI=1S/C16H24N2O2/c1-4-5-13-10-14(16(19)15(11-13)20-3)12-18-8-6-17(2)7-9-18/h4,10-11,19H,1,5-9,12H2,2-3H3
InChIKey
URUYSBINKURYKA-UHFFFAOYSA-N
Compound name
2-methoxy-6-[(4-methylpiperazin-1-yl)methyl]-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.3
[M+Na]+ 299.17300 174.5
[M-H]- 275.17650 170.3
[M+NH4]+ 294.21760 181.4
[M+K]+ 315.14694 170.0
[M+H-H2O]+ 259.18104 159.5
[M+HCOO]- 321.18198 184.1
[M+CH3COO]- 335.19763 199.8
[M+Na-2H]- 297.15845 168.9
[M]+ 276.18323 166.7
[M]- 276.18433 166.7
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.