CID 199200

3829-69-4

Structural Information

Molecular Formula
C17H22N4O2
SMILES
COC1=CC(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OC
InChI
InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3
InChIKey
CDJMANXRRPUKJG-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.6
[M+Na]+ 337.163518 183.6
[M-H]- 313.167024 180.9
[M+NH4]+ 332.208123 185.8
[M+K]+ 353.137458 178.8
[M+H-H2O]+ 297.171560 164.9
[M+HCOO]- 359.172501 192.5
[M+CH3COO]- 373.188151 186.1
[M+Na-2H]- 335.148966 181.1
[M]+ 314.17375142 176.4
[M]- 314.17484858 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.