CID 6482658

Schembl4995521

Structural Information

Molecular Formula
C21H18N4
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CN=CC(=N3)NCCC4=CC=NC=C4
InChI
InChI=1S/C21H18N4/c1-2-4-18-13-19(6-5-17(18)3-1)20-14-23-15-21(25-20)24-12-9-16-7-10-22-11-8-16/h1-8,10-11,13-15H,9,12H2,(H,24,25)
InChIKey
GRYUVKIJVDXKQV-UHFFFAOYSA-N
Compound name
6-naphthalen-2-yl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.15314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16042 178.2
[M+Na]+ 349.14236 185.4
[M-H]- 325.14586 184.0
[M+NH4]+ 344.18696 187.8
[M+K]+ 365.11630 177.2
[M+H-H2O]+ 309.15040 165.6
[M+HCOO]- 371.15134 197.8
[M+CH3COO]- 385.16699 187.5
[M+Na-2H]- 347.12781 187.4
[M]+ 326.15259 176.9
[M]- 326.15369 176.9
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