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

12
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 173.5
[M+Na]+ 333.17980 180.2
[M-H]- 309.18330 173.7
[M+NH4]+ 328.22440 182.6
[M+K]+ 349.15374 172.5
[M+H-H2O]+ 293.18784 161.4
[M+HCOO]- 355.18878 185.7
[M+CH3COO]- 369.20443 181.2
[M+Na-2H]- 331.16525 174.3
[M]+ 310.19003 169.0
[M]- 310.19113 169.0
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.