CID 200420

1h-indazole, 5-chloro-3-(2-(dimethylamino)ethoxy)-1-(p-methoxybenzyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
CN(C)CCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H22ClN3O2/c1-22(2)10-11-25-19-17-12-15(20)6-9-18(17)23(21-19)13-14-4-7-16(24-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3
InChIKey
NTDAYFMOIDPJSW-UHFFFAOYSA-N
Compound name
2-[5-chloro-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

359.14005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14733 184.2
[M+Na]+ 382.12927 199.8
[M+NH4]+ 377.17387 192.1
[M+K]+ 398.10321 192.7
[M-H]- 358.13277 188.7
[M+Na-2H]- 380.11472 192.1
[M]+ 359.13950 188.1
[M]- 359.14060 188.1
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.