CID 96869258

2196183-71-6

Structural Information

Molecular Formula
C26H29N3O
SMILES
CN(C)CCCOC1=NN(C2=C1C=C(C=C2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H29N3O/c1-28(2)16-9-17-30-26-24-19-23(18-21-10-5-3-6-11-21)14-15-25(24)29(27-26)20-22-12-7-4-8-13-22/h3-8,10-15,19H,9,16-18,20H2,1-2H3
InChIKey
KIODMZRQIHVXEE-UHFFFAOYSA-N
Compound name
3-(1,5-dibenzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.23105 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23833 200.9
[M+Na]+ 422.22027 207.4
[M-H]- 398.22377 209.8
[M+NH4]+ 417.26487 211.8
[M+K]+ 438.19421 200.8
[M+H-H2O]+ 382.22831 188.7
[M+HCOO]- 444.22925 223.1
[M+CH3COO]- 458.24490 210.3
[M+Na-2H]- 420.20572 203.5
[M]+ 399.23050 206.1
[M]- 399.23160 206.1
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.