CID 210599

21394-86-5

Structural Information

Molecular Formula
C16H19N5O3
SMILES
COC1=NC=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H19N5O3/c1-22-16-18-10-17-15(19-16)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)24-11-23-13/h2-3,8,10H,4-7,9,11H2,1H3
InChIKey
SDLIISGASFFSPJ-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15608 178.2
[M+Na]+ 352.13802 185.1
[M-H]- 328.14152 182.5
[M+NH4]+ 347.18262 184.3
[M+K]+ 368.11196 182.5
[M+H-H2O]+ 312.14606 165.6
[M+HCOO]- 374.14700 189.5
[M+CH3COO]- 388.16265 186.7
[M+Na-2H]- 350.12347 180.9
[M]+ 329.14825 177.8
[M]- 329.14935 177.8
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

No patent data available for this compound.