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
1
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]+ 325.21352 178.6
[M+Na]+ 347.19546 192.0
[M+NH4]+ 342.24006 184.9
[M+K]+ 363.16940 188.3
[M-H]- 323.19896 181.0
[M+Na-2H]- 345.18091 185.2
[M]+ 324.20569 181.0
[M]- 324.20679 181.0
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.