CID 6482910

Schembl5000873

Structural Information

Molecular Formula
C21H21FN4O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C21H21FN4O/c22-18-5-7-19(8-6-18)25-9-11-26(12-10-25)21-14-23-13-20(24-21)17-3-1-16(15-27)2-4-17/h1-8,13-14,27H,9-12,15H2
InChIKey
RJWTYANCFIXQJS-UHFFFAOYSA-N
Compound name
[4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.16995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17723 190.8
[M+Na]+ 387.15917 196.9
[M-H]- 363.16267 194.5
[M+NH4]+ 382.20377 195.8
[M+K]+ 403.13311 188.3
[M+H-H2O]+ 347.16721 176.1
[M+HCOO]- 409.16815 202.7
[M+CH3COO]- 423.18380 197.5
[M+Na-2H]- 385.14462 192.7
[M]+ 364.16940 184.4
[M]- 364.17050 184.4
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.