CID 6482720

Schembl4992113

Structural Information

Molecular Formula
C23H22N6
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3N)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C23H22N6/c24-22-23(29-13-11-28(12-14-29)20-7-9-25-10-8-20)27-21(16-26-22)19-6-5-17-3-1-2-4-18(17)15-19/h1-10,15-16H,11-14H2,(H2,24,26)
InChIKey
PAHUCERTOBQZGE-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.19058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19786 196.6
[M+Na]+ 405.17980 202.8
[M-H]- 381.18330 201.7
[M+NH4]+ 400.22440 200.3
[M+K]+ 421.15374 192.9
[M+H-H2O]+ 365.18784 181.3
[M+HCOO]- 427.18878 208.6
[M+CH3COO]- 441.20443 202.7
[M+Na-2H]- 403.16525 201.4
[M]+ 382.19003 189.8
[M]- 382.19113 189.8
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.