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]+ 330.156076 178.2
[M+Na]+ 352.138018 185.1
[M-H]- 328.141524 182.5
[M+NH4]+ 347.182623 184.3
[M+K]+ 368.111958 182.5
[M+H-H2O]+ 312.146060 165.6
[M+HCOO]- 374.147001 189.5
[M+CH3COO]- 388.162651 186.7
[M+Na-2H]- 350.123466 180.9
[M]+ 329.14825142 177.8
[M]- 329.14934858 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.