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

423
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

literature stripe

Patent stripe

patents stripe