CID 198817

3415-40-5

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN(C)CCCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H22ClN3O/c1-22(2)11-6-12-24-19-17-13-16(20)9-10-18(17)23(21-19)14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKey
OFGNQERUYGXVLO-UHFFFAOYSA-N
Compound name
3-(1-benzyl-5-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 181.0
[M+Na]+ 366.13436 196.8
[M+NH4]+ 361.17896 189.6
[M+K]+ 382.10830 188.9
[M-H]- 342.13786 186.0
[M+Na-2H]- 364.11981 189.7
[M]+ 343.14459 185.1
[M]- 343.14569 185.1
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.