CID 2736216

354563-89-6

Structural Information

Molecular Formula
C17H22N4O2
SMILES
COC1=CC(=NC(=N1)C(C2=CC=CC=C2)N3CCNCC3)OC
InChI
InChI=1S/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3
InChIKey
BGJADJLMAYMTRR-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

314.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.5
[M+Na]+ 337.16352 180.8
[M-H]- 313.16702 178.2
[M+NH4]+ 332.20812 183.7
[M+K]+ 353.13746 175.7
[M+H-H2O]+ 297.17156 164.2
[M+HCOO]- 359.17250 189.1
[M+CH3COO]- 373.18815 184.0
[M+Na-2H]- 335.14897 179.4
[M]+ 314.17375 172.6
[M]- 314.17485 172.6
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

patents stripe