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]+ 326.18630 178.0
[M+Na]+ 348.16824 186.4
[M-H]- 324.17174 184.7
[M+NH4]+ 343.21284 192.8
[M+K]+ 364.14218 182.7
[M+H-H2O]+ 308.17628 167.9
[M+HCOO]- 370.17722 201.9
[M+CH3COO]- 384.19287 215.2
[M+Na-2H]- 346.15369 182.3
[M]+ 325.17847 185.2
[M]- 325.17957 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.