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]+ 380.25438 196.4
[M+Na]+ 402.23632 198.7
[M-H]- 378.23982 200.5
[M+NH4]+ 397.28092 202.0
[M+K]+ 418.21026 196.7
[M+H-H2O]+ 362.24436 183.8
[M+HCOO]- 424.24530 206.9
[M+CH3COO]- 438.26095 219.1
[M+Na-2H]- 400.22177 195.2
[M]+ 379.24655 195.4
[M]- 379.24765 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