CID 13863273

113698-83-2

Structural Information

Molecular Formula
C14H22N2O3
SMILES
COC1=CC(=C(C(=C1)OC)CN2CCNCC2)OC
InChI
InChI=1S/C14H22N2O3/c1-17-11-8-13(18-2)12(14(9-11)19-3)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3
InChIKey
OBRWIIFFRKWIOH-UHFFFAOYSA-N
Compound name
1-[(2,4,6-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.6
[M+Na]+ 289.15228 175.5
[M+NH4]+ 284.19688 170.3
[M+K]+ 305.12622 169.3
[M-H]- 265.15578 165.6
[M+Na-2H]- 287.13773 169.0
[M]+ 266.16251 165.7
[M]- 266.16361 165.7
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

patents stripe