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]+ 315.181576 176.5
[M+Na]+ 337.163518 180.8
[M-H]- 313.167024 178.2
[M+NH4]+ 332.208123 183.7
[M+K]+ 353.137458 175.7
[M+H-H2O]+ 297.171560 164.2
[M+HCOO]- 359.172501 189.1
[M+CH3COO]- 373.188151 184.0
[M+Na-2H]- 335.148966 179.4
[M]+ 314.17375142 172.6
[M]- 314.17484858 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