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 179.5
[M+Na]+ 347.19546 187.1
[M-H]- 323.19896 181.1
[M+NH4]+ 342.24006 189.0
[M+K]+ 363.16940 179.8
[M+H-H2O]+ 307.20350 167.1
[M+HCOO]- 369.20444 192.6
[M+CH3COO]- 383.22009 187.6
[M+Na-2H]- 345.18091 179.2
[M]+ 324.20569 177.3
[M]- 324.20679 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.