CID 198815

3415-37-0

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN(C)CCCOC1=NN(C2=C1C(=CC=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H22ClN3O/c1-22(2)12-7-13-24-19-18-16(20)10-6-11-17(18)23(21-19)14-15-8-4-3-5-9-15/h3-6,8-11H,7,12-14H2,1-2H3
InChIKey
WFYZBSNMGVZMJR-UHFFFAOYSA-N
Compound name
3-(1-benzyl-4-chloroindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 182.3
[M+Na]+ 366.13436 191.6
[M-H]- 342.13786 188.6
[M+NH4]+ 361.17896 197.2
[M+K]+ 382.10830 185.6
[M+H-H2O]+ 326.14240 172.5
[M+HCOO]- 388.14334 201.2
[M+CH3COO]- 402.15899 193.5
[M+Na-2H]- 364.11981 185.9
[M]+ 343.14459 190.3
[M]- 343.14569 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

No patent data available for this compound.