CID 6482930

Schembl4997465

Structural Information

Molecular Formula
C22H24N4OS
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(S4)C(=O)C)C
InChI
InChI=1S/C22H24N4OS/c1-15-4-5-19(16(2)12-15)25-8-10-26(11-9-25)22-14-23-13-18(24-22)21-7-6-20(28-21)17(3)27/h4-7,12-14H,8-11H2,1-3H3
InChIKey
DXHBVKKCMNGHRV-UHFFFAOYSA-N
Compound name
1-[5-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.16708 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17436 195.5
[M+Na]+ 415.15630 203.3
[M-H]- 391.15980 203.2
[M+NH4]+ 410.20090 203.6
[M+K]+ 431.13024 196.0
[M+H-H2O]+ 375.16434 184.4
[M+HCOO]- 437.16528 205.7
[M+CH3COO]- 451.18093 203.8
[M+Na-2H]- 413.14175 190.9
[M]+ 392.16653 195.2
[M]- 392.16763 195.2
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.