CID 6482654

Schembl5000621

Structural Information

Molecular Formula
C25H30N4O2
SMILES
CC(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C25H30N4O2/c1-18(2)19-5-7-20(8-6-19)22-16-26-17-25(27-22)29-13-11-28(12-14-29)21-9-10-23(30-3)24(15-21)31-4/h5-10,15-18H,11-14H2,1-4H3
InChIKey
UXZCGRZHXUURGI-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(4-propan-2-ylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.23688 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24416 207.7
[M+Na]+ 441.22610 212.6
[M-H]- 417.22960 213.9
[M+NH4]+ 436.27070 211.3
[M+K]+ 457.20004 206.0
[M+H-H2O]+ 401.23414 193.0
[M+HCOO]- 463.23508 219.8
[M+CH3COO]- 477.25073 214.0
[M+Na-2H]- 439.21155 206.8
[M]+ 418.23633 206.4
[M]- 418.23743 206.4
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.