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 185.4
[M+Na]+ 382.12927 195.4
[M-H]- 358.13277 192.1
[M+NH4]+ 377.17387 199.9
[M+K]+ 398.10321 190.1
[M+H-H2O]+ 342.13731 175.8
[M+HCOO]- 404.13825 204.5
[M+CH3COO]- 418.15390 219.9
[M+Na-2H]- 380.11472 188.3
[M]+ 359.13950 195.1
[M]- 359.14060 195.1
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.