CID 210544

21280-05-7

Structural Information

Molecular Formula
C17H21N5O4
SMILES
COC1=NC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C17H21N5O4/c1-23-16-18-15(19-17(20-16)24-2)22-7-5-21(6-8-22)10-12-3-4-13-14(9-12)26-11-25-13/h3-4,9H,5-8,10-11H2,1-2H3
InChIKey
PYDIUXFCFJEFHE-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15936 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.166636 186.1
[M+Na]+ 382.148578 193.2
[M-H]- 358.152084 190.8
[M+NH4]+ 377.193183 191.2
[M+K]+ 398.122518 191.1
[M+H-H2O]+ 342.156620 173.6
[M+HCOO]- 404.157561 197.2
[M+CH3COO]- 418.173211 194.4
[M+Na-2H]- 380.134026 187.7
[M]+ 359.15881142 187.9
[M]- 359.15990858 187.9
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

No patent data available for this compound.