CID 200593

1h-indazole, 3-(2-(dimethylamino)ethoxy)-1-(p-methoxybenzyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CN(C)CCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23N3O2/c1-21(2)12-13-24-19-17-6-4-5-7-18(17)22(20-19)14-15-8-10-16(23-3)11-9-15/h4-11H,12-14H2,1-3H3
InChIKey
VYLBESGZLAQBKG-UHFFFAOYSA-N
Compound name
2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.0
[M+Na]+ 348.168238 186.4
[M-H]- 324.171744 184.7
[M+NH4]+ 343.212843 192.8
[M+K]+ 364.142178 182.7
[M+H-H2O]+ 308.176280 167.9
[M+HCOO]- 370.177221 201.9
[M+CH3COO]- 384.192871 215.2
[M+Na-2H]- 346.153686 182.3
[M]+ 325.17847142 185.2
[M]- 325.17956858 185.2
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.