CID 6482736

Schembl4997580

Structural Information

Molecular Formula
C21H20ClN5O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C21H20ClN5O/c22-17-2-1-3-18(12-17)26-8-10-27(11-9-26)20-14-24-13-19(25-20)15-4-6-16(7-5-15)21(23)28/h1-7,12-14H,8-11H2,(H2,23,28)
InChIKey
UCGMTZJHSIJKGF-UHFFFAOYSA-N
Compound name
4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

393.13565 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14293 194.8
[M+Na]+ 416.12487 201.0
[M-H]- 392.12837 200.5
[M+NH4]+ 411.16947 199.5
[M+K]+ 432.09881 192.4
[M+H-H2O]+ 376.13291 181.1
[M+HCOO]- 438.13385 204.3
[M+CH3COO]- 452.14950 201.6
[M+Na-2H]- 414.11032 196.2
[M]+ 393.13510 190.8
[M]- 393.13620 190.8
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