CID 18894

3414-78-6

Structural Information

Molecular Formula
C20H24N4
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)N
InChI
InChI=1S/C20H24N4/c21-18-6-7-20-19(12-18)17(13-22-20)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13,22H,8-11,14-15,21H2
InChIKey
FOXCFIPZINDAQU-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.2001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20738 176.9
[M+Na]+ 343.18932 183.0
[M-H]- 319.19282 181.3
[M+NH4]+ 338.23392 188.3
[M+K]+ 359.16326 174.9
[M+H-H2O]+ 303.19736 165.9
[M+HCOO]- 365.19830 193.2
[M+CH3COO]- 379.21395 185.6
[M+Na-2H]- 341.17477 179.4
[M]+ 320.19955 171.5
[M]- 320.20065 171.5
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.