CID 198985

Brn 0766298

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CN(C)C1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H23N5O2/c1-21(2)17-5-6-19-18(20-17)23-9-7-22(8-10-23)12-14-3-4-15-16(11-14)25-13-24-15/h3-6,11H,7-10,12-13H2,1-2H3
InChIKey
GSIGSEWURAOXMU-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 183.2
[M+Na]+ 364.17440 188.6
[M-H]- 340.17790 190.0
[M+NH4]+ 359.21900 190.7
[M+K]+ 380.14834 186.6
[M+H-H2O]+ 324.18244 170.9
[M+HCOO]- 386.18338 196.6
[M+CH3COO]- 400.19903 191.9
[M+Na-2H]- 362.15985 185.3
[M]+ 341.18463 182.3
[M]- 341.18573 182.3
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.