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]+ 329.197176 182.7
[M+Na]+ 351.179118 189.2
[M-H]- 327.182624 186.2
[M+NH4]+ 346.223723 190.7
[M+K]+ 367.153058 184.2
[M+H-H2O]+ 311.187160 170.1
[M+HCOO]- 373.188101 197.3
[M+CH3COO]- 387.203751 210.5
[M+Na-2H]- 349.164566 184.9
[M]+ 328.18935142 182.3
[M]- 328.19044858 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.