CID 10430360

Cc-401

Structural Information

Molecular Formula
C22H24N6O
SMILES
C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)
InChIKey
XDJCLCLBSGGNKS-UHFFFAOYSA-N
Compound name
3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

108
Patents

388.20117 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20845 193.4
[M+Na]+ 411.19039 207.8
[M+NH4]+ 406.23499 199.3
[M+K]+ 427.16433 203.7
[M-H]- 387.19389 197.6
[M+Na-2H]- 409.17584 201.9
[M]+ 388.20062 196.5
[M]- 388.20172 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe