CID 5712

154453-18-6

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO
InChI
InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
InChIKey
OQQVFCKUDYMWGV-UHFFFAOYSA-N
Compound name
[5-(1-benzylindazol-3-yl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

420
References

2309
Patents

304.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.128476 168.8
[M+Na]+ 327.110418 179.0
[M-H]- 303.113924 177.5
[M+NH4]+ 322.155023 183.6
[M+K]+ 343.084358 174.1
[M+H-H2O]+ 287.118460 160.4
[M+HCOO]- 349.119401 190.9
[M+CH3COO]- 363.135051 181.2
[M+Na-2H]- 325.095866 172.4
[M]+ 304.12065142 172.7
[M]- 304.12174858 172.7
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