CID 135398122

Mkk7-cov-3

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC2=C(C=C1)C(=NN2)C3=CC(=CC=C3)NC(=O)C=C
InChI
InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKey
YCMAZDUWLKXRRU-UHFFFAOYSA-N
Compound name
N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

277.12152 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 164.3
[M+Na]+ 300.110738 173.8
[M-H]- 276.114244 168.9
[M+NH4]+ 295.155343 179.8
[M+K]+ 316.084678 167.0
[M+H-H2O]+ 260.118780 155.8
[M+HCOO]- 322.119721 186.2
[M+CH3COO]- 336.135371 175.9
[M+Na-2H]- 298.096186 168.9
[M]+ 277.12097142 164.5
[M]- 277.12206858 164.5
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