CID 6482666

Schembl4992873

Structural Information

Molecular Formula
C24H29N5
SMILES
C1CCN(C1)CCN2CCN(CC2)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H29N5/c1-2-6-21-17-22(8-7-20(21)5-1)23-18-25-19-24(26-23)29-15-13-28(14-16-29)12-11-27-9-3-4-10-27/h1-2,5-8,17-19H,3-4,9-16H2
InChIKey
LEBGUEMDGOGRCU-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.2423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24958 198.0
[M+Na]+ 410.23152 201.4
[M-H]- 386.23502 202.6
[M+NH4]+ 405.27612 203.6
[M+K]+ 426.20546 192.8
[M+H-H2O]+ 370.23956 182.6
[M+HCOO]- 432.24050 207.5
[M+CH3COO]- 446.25615 203.4
[M+Na-2H]- 408.21697 197.1
[M]+ 387.24175 190.6
[M]- 387.24285 190.6
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

No patent data available for this compound.