CID 58933

5-cyano-3-(n-methylpiperazinomethyl)indole

Structural Information

Molecular Formula
C15H18N4
SMILES
CN1CCN(CC1)CC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C15H18N4/c1-18-4-6-19(7-5-18)11-13-10-17-15-3-2-12(9-16)8-14(13)15/h2-3,8,10,17H,4-7,11H2,1H3
InChIKey
PVNWVAMWFWITOQ-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15315 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 158.6
[M+Na]+ 277.14237 168.4
[M-H]- 253.14587 158.8
[M+NH4]+ 272.18697 171.7
[M+K]+ 293.11631 160.4
[M+H-H2O]+ 237.15041 142.5
[M+HCOO]- 299.15135 171.4
[M+CH3COO]- 313.16700 167.4
[M+Na-2H]- 275.12782 161.2
[M]+ 254.15260 150.3
[M]- 254.15370 150.3
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.