CID 10616979

Ethyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O5
SMILES
CCOC(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C17H26N2O5/c1-5-24-17(20)19-10-8-18(9-11-19)12-13-6-7-14(21-2)16(23-4)15(13)22-3/h6-7H,5,8-12H2,1-4H3
InChIKey
RPRSCQFIVQGRJO-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.18417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19145 180.4
[M+Na]+ 361.17339 185.9
[M-H]- 337.17689 183.7
[M+NH4]+ 356.21799 191.4
[M+K]+ 377.14733 184.6
[M+H-H2O]+ 321.18143 170.7
[M+HCOO]- 383.18237 196.9
[M+CH3COO]- 397.19802 211.2
[M+Na-2H]- 359.15884 180.2
[M]+ 338.18362 184.6
[M]- 338.18472 184.6
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