CID 3067342

2-(3-methoxyphenyl)-2h-indazole

Structural Information

Molecular Formula
C14H12N2O
SMILES
COC1=CC=CC(=C1)N2C=C3C=CC=CC3=N2
InChI
InChI=1S/C14H12N2O/c1-17-13-7-4-6-12(9-13)16-10-11-5-2-3-8-14(11)15-16/h2-10H,1H3
InChIKey
JNQANLFHMOCZAS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.09496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.2
[M+Na]+ 247.08418 164.9
[M+NH4]+ 242.12878 157.7
[M+K]+ 263.05812 158.1
[M-H]- 223.08768 152.7
[M+Na-2H]- 245.06963 158.6
[M]+ 224.09441 152.1
[M]- 224.09551 152.1
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