CID 2873831

Hexametazidine

Structural Information

Molecular Formula
C24H34N2O6
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC)OC)OC
InChI
InChI=1S/C24H34N2O6/c1-27-19-9-7-17(21(29-3)23(19)31-5)15-25-11-13-26(14-12-25)16-18-8-10-20(28-2)24(32-6)22(18)30-4/h7-10H,11-16H2,1-6H3
InChIKey
SZYPCHFFOGTJQE-UHFFFAOYSA-N
Compound name
1,4-bis[(2,3,4-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

446.2417 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24898 210.3
[M+Na]+ 469.23092 215.8
[M-H]- 445.23442 216.8
[M+NH4]+ 464.27552 216.6
[M+K]+ 485.20486 213.6
[M+H-H2O]+ 429.23896 198.0
[M+HCOO]- 491.23990 226.2
[M+CH3COO]- 505.25555 234.9
[M+Na-2H]- 467.21637 207.8
[M]+ 446.24115 217.9
[M]- 446.24225 217.9
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