CID 215746

36174-05-7

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)C(=O)N2C3=C(C=CC(=C3)N)C=N2
InChI
InChI=1S/C14H11N3O/c15-12-7-6-11-9-16-17(13(11)8-12)14(18)10-4-2-1-3-5-10/h1-9H,15H2
InChIKey
XKBWIRSTXCSRGU-UHFFFAOYSA-N
Compound name
(6-aminoindazol-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09021 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 151.5
[M+Na]+ 260.07943 166.3
[M+NH4]+ 255.12403 159.9
[M+K]+ 276.05337 160.9
[M-H]- 236.08293 155.6
[M+Na-2H]- 258.06488 160.6
[M]+ 237.08966 154.7
[M]- 237.09076 154.7
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.