CID 198985

3601-75-0

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]+ 342.192456 183.2
[M+Na]+ 364.174398 188.6
[M-H]- 340.177904 190.0
[M+NH4]+ 359.219003 190.7
[M+K]+ 380.148338 186.6
[M+H-H2O]+ 324.182440 170.9
[M+HCOO]- 386.183381 196.6
[M+CH3COO]- 400.199031 191.9
[M+Na-2H]- 362.159846 185.3
[M]+ 341.18463142 182.3
[M]- 341.18572858 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.