CID 11427553

Kw-2449

Structural Information

Molecular Formula
C20H20N4O
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43
InChI
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
InChIKey
YYLKKYCXAOBSRM-JXMROGBWSA-N
Compound name
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

692
Patents

332.1637 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 180.5
[M+Na]+ 355.15292 186.2
[M-H]- 331.15642 182.4
[M+NH4]+ 350.19752 189.2
[M+K]+ 371.12686 177.4
[M+H-H2O]+ 315.16096 169.0
[M+HCOO]- 377.16190 192.8
[M+CH3COO]- 391.17755 187.8
[M+Na-2H]- 353.13837 182.2
[M]+ 332.16315 174.0
[M]- 332.16425 174.0
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.