CID 12798088

5-(benzyloxy)-1h-indazole

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-6-7-14-12(8-13)9-15-16-14/h1-9H,10H2,(H,15,16)
InChIKey
INFXNBBPBLSPDV-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

224.09496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.5
[M+Na]+ 247.08418 157.1
[M-H]- 223.08768 151.6
[M+NH4]+ 242.12878 165.0
[M+K]+ 263.05812 151.6
[M+H-H2O]+ 207.09222 139.1
[M+HCOO]- 269.09316 170.0
[M+CH3COO]- 283.10881 160.3
[M+Na-2H]- 245.06963 155.8
[M]+ 224.09441 148.5
[M]- 224.09551 148.5
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