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]+ 360.16664 186.1
[M+Na]+ 382.14858 193.2
[M-H]- 358.15208 190.8
[M+NH4]+ 377.19318 191.2
[M+K]+ 398.12252 191.1
[M+H-H2O]+ 342.15662 173.6
[M+HCOO]- 404.15756 197.2
[M+CH3COO]- 418.17321 194.4
[M+Na-2H]- 380.13403 187.7
[M]+ 359.15881 187.9
[M]- 359.15991 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.