CID 6482939

Schembl4991693

Structural Information

Molecular Formula
C24H26N4O
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)C)C
InChI
InChI=1S/C24H26N4O/c1-17-5-4-6-23(18(17)2)27-11-13-28(14-12-27)24-16-25-15-22(26-24)21-9-7-20(8-10-21)19(3)29/h4-10,15-16H,11-14H2,1-3H3
InChIKey
UZTMMWFMZPZRKU-UHFFFAOYSA-N
Compound name
1-[4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.21066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 199.8
[M+Na]+ 409.19988 205.8
[M-H]- 385.20338 206.2
[M+NH4]+ 404.24448 204.7
[M+K]+ 425.17382 198.0
[M+H-H2O]+ 369.20792 185.6
[M+HCOO]- 431.20886 212.3
[M+CH3COO]- 445.22451 206.8
[M+Na-2H]- 407.18533 199.3
[M]+ 386.21011 196.2
[M]- 386.21121 196.2
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.