CID 6482920

Schembl4992104

Structural Information

Molecular Formula
C24H24N4S
SMILES
CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C24H24N4S/c1-17-6-5-7-19(12-17)28-11-10-27(15-18(28)2)24-14-25-13-22(26-24)21-16-29-23-9-4-3-8-20(21)23/h3-9,12-14,16,18H,10-11,15H2,1-2H3
InChIKey
WYFGXVDNBQKBOC-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.17218 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17946 197.9
[M+Na]+ 423.16140 207.5
[M-H]- 399.16490 206.4
[M+NH4]+ 418.20600 206.6
[M+K]+ 439.13534 198.3
[M+H-H2O]+ 383.16944 186.1
[M+HCOO]- 445.17038 209.1
[M+CH3COO]- 459.18603 206.4
[M+Na-2H]- 421.14685 196.7
[M]+ 400.17163 198.0
[M]- 400.17273 198.0
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.