CID 6482829

Schembl5003443

Structural Information

Molecular Formula
C23H27N5O
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H27N5O/c1-26(2)19-10-8-18(9-11-19)20-16-24-17-23(25-20)28-14-12-27(13-15-28)21-6-4-5-7-22(21)29-3/h4-11,16-17H,12-15H2,1-3H3
InChIKey
VLNWAWVITPQFQY-UHFFFAOYSA-N
Compound name
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.22156 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 198.5
[M+Na]+ 412.21078 203.3
[M-H]- 388.21428 206.0
[M+NH4]+ 407.25538 203.5
[M+K]+ 428.18472 197.0
[M+H-H2O]+ 372.21882 183.7
[M+HCOO]- 434.21976 213.8
[M+CH3COO]- 448.23541 205.7
[M+Na-2H]- 410.19623 200.6
[M]+ 389.22101 196.1
[M]- 389.22211 196.1
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