CID 6482952

Schembl4992120

Structural Information

Molecular Formula
C21H20Cl2N4O
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C21H20Cl2N4O/c22-18-6-5-17(11-19(18)23)26-7-9-27(10-8-26)21-13-24-12-20(25-21)16-3-1-15(14-28)2-4-16/h1-6,11-13,28H,7-10,14H2
InChIKey
ICUJFMXYSSBHOB-UHFFFAOYSA-N
Compound name
[4-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.1014 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10868 197.1
[M+Na]+ 437.09062 204.8
[M-H]- 413.09412 201.2
[M+NH4]+ 432.13522 201.9
[M+K]+ 453.06456 195.3
[M+H-H2O]+ 397.09866 183.5
[M+HCOO]- 459.09960 200.3
[M+CH3COO]- 473.11525 203.6
[M+Na-2H]- 435.07607 197.7
[M]+ 414.10085 195.7
[M]- 414.10195 195.7
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.