CID 6482730

Schembl5003018

Structural Information

Molecular Formula
C21H21ClN4O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C21H21ClN4O/c22-18-2-1-3-19(12-18)25-8-10-26(11-9-25)21-14-23-13-20(24-21)17-6-4-16(15-27)5-7-17/h1-7,12-14,27H,8-11,15H2
InChIKey
IAPIHLGZVTUVRA-UHFFFAOYSA-N
Compound name
[4-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.14038 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14766 192.6
[M+Na]+ 403.12960 199.2
[M-H]- 379.13310 197.2
[M+NH4]+ 398.17420 197.9
[M+K]+ 419.10354 190.1
[M+H-H2O]+ 363.13764 178.8
[M+HCOO]- 425.13858 200.8
[M+CH3COO]- 439.15423 199.5
[M+Na-2H]- 401.11505 194.6
[M]+ 380.13983 189.3
[M]- 380.14093 189.3
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.