CID 3049524

64966-13-8

Structural Information

Molecular Formula
C20H33N3O4
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCN3CCOCC3)OC)OC
InChI
InChI=1S/C20H33N3O4/c1-24-18-5-4-17(19(25-2)20(18)26-3)16-23-10-8-21(9-11-23)6-7-22-12-14-27-15-13-22/h4-5H,6-16H2,1-3H3
InChIKey
RADUMJXORCTXJP-UHFFFAOYSA-N
Compound name
4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.2471 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.254376 196.4
[M+Na]+ 402.236318 198.7
[M-H]- 378.239824 200.5
[M+NH4]+ 397.280923 202.0
[M+K]+ 418.210258 196.7
[M+H-H2O]+ 362.244360 183.8
[M+HCOO]- 424.245301 206.9
[M+CH3COO]- 438.260951 219.1
[M+Na-2H]- 400.221766 195.2
[M]+ 379.24655142 195.4
[M]- 379.24764858 195.4
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