CID 6482849

Schembl5000881

Structural Information

Molecular Formula
C23H23FN4O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C23H23FN4O2/c1-16(29)17-3-6-19(7-4-17)27-9-11-28(12-10-27)23-15-25-14-21(26-23)18-5-8-22(30-2)20(24)13-18/h3-8,13-15H,9-12H2,1-2H3
InChIKey
JNURBUHOZJWILZ-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(3-fluoro-4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

406.1805 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18778 201.8
[M+Na]+ 429.16972 208.0
[M-H]- 405.17322 207.0
[M+NH4]+ 424.21432 205.7
[M+K]+ 445.14366 200.6
[M+H-H2O]+ 389.17776 186.6
[M+HCOO]- 451.17870 213.7
[M+CH3COO]- 465.19435 208.4
[M+Na-2H]- 427.15517 201.2
[M]+ 406.17995 198.3
[M]- 406.18105 198.3
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

patents stripe