CID 6482921

Schembl4995465

Structural Information

Molecular Formula
C23H26N4
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4/c1-26(2)21-10-8-20(9-11-21)22-16-24-17-23(25-22)27-14-12-19(13-15-27)18-6-4-3-5-7-18/h3-11,16-17,19H,12-15H2,1-2H3
InChIKey
YTKLRVVCSOKVPD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[6-(4-phenylpiperidin-1-yl)pyrazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.21576 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22304 190.0
[M+Na]+ 381.20498 194.0
[M-H]- 357.20848 198.4
[M+NH4]+ 376.24958 197.5
[M+K]+ 397.17892 187.5
[M+H-H2O]+ 341.21302 176.0
[M+HCOO]- 403.21396 206.6
[M+CH3COO]- 417.22961 197.8
[M+Na-2H]- 379.19043 192.7
[M]+ 358.21521 185.3
[M]- 358.21631 185.3
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.