CID 198997

3601-88-5

Structural Information

Molecular Formula
C15H18N4O
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C15H18N4O/c1-20-14-6-3-2-5-13(14)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h2-8H,9-12H2,1H3
InChIKey
IKTDMPJHXRYBNC-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.155346 165.3
[M+Na]+ 293.137288 171.5
[M-H]- 269.140794 168.6
[M+NH4]+ 288.181893 175.2
[M+K]+ 309.111228 166.5
[M+H-H2O]+ 253.145330 153.0
[M+HCOO]- 315.146271 180.8
[M+CH3COO]- 329.161921 174.6
[M+Na-2H]- 291.122736 170.7
[M]+ 270.14752142 161.7
[M]- 270.14861858 161.7
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.