CID 206876

Brn 0541572

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C15H19N3O2/c1-17-5-7-18(8-6-17)15(19)14-10-11-9-12(20-2)3-4-13(11)16-14/h3-4,9-10,16H,5-8H2,1-2H3
InChIKey
XXGZKMDGSBPVBI-UHFFFAOYSA-N
Compound name
(5-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

273.14774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.0
[M+Na]+ 296.13696 176.5
[M+NH4]+ 291.18156 171.0
[M+K]+ 312.11090 172.2
[M-H]- 272.14046 165.7
[M+Na-2H]- 294.12241 169.1
[M]+ 273.14719 166.1
[M]- 273.14829 166.1
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

patents stripe