CID 3067333

2-butanone, 4-(4-(2h-indazol-2-yl)phenyl)-

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC(=O)CCC1=CC=C(C=C1)N2C=C3C=CC=CC3=N2
InChI
InChI=1S/C17H16N2O/c1-13(20)6-7-14-8-10-16(11-9-14)19-12-15-4-2-3-5-17(15)18-19/h2-5,8-12H,6-7H2,1H3
InChIKey
MQQAYMHKAVHXHM-UHFFFAOYSA-N
Compound name
4-(4-indazol-2-ylphenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.2
[M+Na]+ 287.11547 170.7
[M-H]- 263.11897 166.6
[M+NH4]+ 282.16007 177.9
[M+K]+ 303.08941 165.3
[M+H-H2O]+ 247.12351 152.3
[M+HCOO]- 309.12445 183.3
[M+CH3COO]- 323.14010 173.6
[M+Na-2H]- 285.10092 166.2
[M]+ 264.12570 164.1
[M]- 264.12680 164.1
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.