CID 10614907

Chembl274001

Structural Information

Molecular Formula
C17H22N6
SMILES
C1CN(CCN1)CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4
InChI
InChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2
InChIKey
OOQZMTKUJVKASW-UHFFFAOYSA-N
Compound name
3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

310.19058 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19786 174.1
[M+Na]+ 333.17980 186.7
[M+NH4]+ 328.22440 180.2
[M+K]+ 349.15374 183.4
[M-H]- 309.18330 175.9
[M+Na-2H]- 331.16525 180.6
[M]+ 310.19003 176.1
[M]- 310.19113 176.1
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