CID 154699526

Ns00117289

Structural Information

Molecular Formula
C18H24N6
SMILES
CN1CCN(CC1)CCCC2=CC3=C(N2)C=CC(=C3)N4C=NN=C4
InChI
InChI=1S/C18H24N6/c1-22-7-9-23(10-8-22)6-2-3-16-11-15-12-17(4-5-18(15)21-16)24-13-19-20-14-24/h4-5,11-14,21H,2-3,6-10H2,1H3
InChIKey
CBQOQETVBHUSNL-UHFFFAOYSA-N
Compound name
2-[3-(4-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.20624 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.213516 179.5
[M+Na]+ 347.195458 187.1
[M-H]- 323.198964 181.1
[M+NH4]+ 342.240063 189.0
[M+K]+ 363.169398 179.8
[M+H-H2O]+ 307.203500 167.1
[M+HCOO]- 369.204441 192.6
[M+CH3COO]- 383.220091 187.6
[M+Na-2H]- 345.180906 179.2
[M]+ 324.20569142 177.3
[M]- 324.20678858 177.3
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

No patent data available for this compound.