CID 6483150

Schembl5003394

Structural Information

Molecular Formula
C26H26N4
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4)C
InChI
InChI=1S/C26H26N4/c1-19-7-10-24(15-20(19)2)29-11-13-30(14-12-29)26-18-27-17-25(28-26)23-9-8-21-5-3-4-6-22(21)16-23/h3-10,15-18H,11-14H2,1-2H3
InChIKey
NOISIAMOWGEFSS-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.21576 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22304 204.0
[M+Na]+ 417.20498 210.4
[M-H]- 393.20848 210.6
[M+NH4]+ 412.24958 209.3
[M+K]+ 433.17892 200.7
[M+H-H2O]+ 377.21302 188.6
[M+HCOO]- 439.21396 215.8
[M+CH3COO]- 453.22961 210.5
[M+Na-2H]- 415.19043 205.9
[M]+ 394.21521 199.1
[M]- 394.21631 199.1
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