CID 115950

63978-37-0

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CC1=NC=CN=C1N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C18H24N4O2/c1-14-18(20-7-6-19-14)22-10-8-21(9-11-22)13-15-4-5-16(23-2)17(12-15)24-3/h4-7,12H,8-11,13H2,1-3H3
InChIKey
BGUZAUDVOGXYFP-UHFFFAOYSA-N
Compound name
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 182.7
[M+Na]+ 351.17912 189.2
[M-H]- 327.18262 186.2
[M+NH4]+ 346.22372 190.7
[M+K]+ 367.15306 184.2
[M+H-H2O]+ 311.18716 170.1
[M+HCOO]- 373.18810 197.3
[M+CH3COO]- 387.20375 210.5
[M+Na-2H]- 349.16457 184.9
[M]+ 328.18935 182.3
[M]- 328.19045 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.