CID 212067

1h-indazol-5-amine, 1-benzoyl-

Structural Information

Molecular Formula
C14H11N3O
SMILES
C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)N)C=N2
InChI
InChI=1S/C14H11N3O/c15-12-6-7-13-11(8-12)9-16-17(13)14(18)10-4-2-1-3-5-10/h1-9H,15H2
InChIKey
JQBPQPOOLUEWOO-UHFFFAOYSA-N
Compound name
(5-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 151.3
[M+Na]+ 260.07943 161.4
[M-H]- 236.08293 156.9
[M+NH4]+ 255.12403 168.6
[M+K]+ 276.05337 156.4
[M+H-H2O]+ 220.08747 142.8
[M+HCOO]- 282.08841 175.0
[M+CH3COO]- 296.10406 164.3
[M+Na-2H]- 258.06488 157.7
[M]+ 237.08966 151.7
[M]- 237.09076 151.7
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.