CID 198939

1h-indazole, 1-(p-chlorobenzyl)-3-(3-(dimethylamino)propoxy)-, monohydrochloride

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O/c1-22(2)12-5-13-24-19-17-6-3-4-7-18(17)23(21-19)14-15-8-10-16(20)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3
InChIKey
ZFQOHGBJRMYZEF-UHFFFAOYSA-N
Compound name
3-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.14514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 182.3
[M+Na]+ 366.134358 191.6
[M-H]- 342.137864 188.6
[M+NH4]+ 361.178963 197.2
[M+K]+ 382.108298 185.6
[M+H-H2O]+ 326.142400 172.5
[M+HCOO]- 388.143341 201.2
[M+CH3COO]- 402.158991 193.5
[M+Na-2H]- 364.119806 185.9
[M]+ 343.14459142 190.3
[M]- 343.14568858 190.3
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

patents stripe