CID 36700

Brn 0822212

Structural Information

Molecular Formula
C19H23N3
SMILES
CN1CCN(CC1)C2C3=C(CCC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C19H23N3/c1-21-11-13-22(14-12-21)19-16-6-3-2-5-15(16)8-9-18-17(19)7-4-10-20-18/h2-7,10,19H,8-9,11-14H2,1H3
InChIKey
RHEYABGOVGVPRA-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.196476 172.1
[M+Na]+ 316.178418 177.6
[M-H]- 292.181924 176.4
[M+NH4]+ 311.223023 184.4
[M+K]+ 332.152358 174.7
[M+H-H2O]+ 276.186460 161.5
[M+HCOO]- 338.187401 184.3
[M+CH3COO]- 352.203051 180.6
[M+Na-2H]- 314.163866 176.6
[M]+ 293.18865142 164.4
[M]- 293.18974858 164.4
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.