CID 63748803

4-[(piperazin-1-yl)methyl]-1h-indole dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(CCN1)CC2=C3C=CNC3=CC=C2
InChI
InChI=1S/C13H17N3/c1-2-11(10-16-8-6-14-7-9-16)12-4-5-15-13(12)3-1/h1-5,14-15H,6-10H2
InChIKey
COUJQDCXQPRAKR-UHFFFAOYSA-N
Compound name
4-(piperazin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

215.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 148.9
[M+Na]+ 238.131458 155.4
[M-H]- 214.134964 149.1
[M+NH4]+ 233.176063 164.4
[M+K]+ 254.105398 149.2
[M+H-H2O]+ 198.139500 139.9
[M+HCOO]- 260.140441 164.3
[M+CH3COO]- 274.156091 159.0
[M+Na-2H]- 236.116906 154.0
[M]+ 215.14169142 142.6
[M]- 215.14278858 142.6
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

patents stripe