CID 37352

Brn 0838369

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCN(CC1)C2C3=C(CCC4=C2C=C(C=C4)OC)N=CC=C3
InChI
InChI=1S/C20H25N3O/c1-22-10-12-23(13-11-22)20-17-4-3-9-21-19(17)8-6-15-5-7-16(24-2)14-18(15)20/h3-5,7,9,14,20H,6,8,10-13H2,1-2H3
InChIKey
KZKGAKPGDZFAIK-UHFFFAOYSA-N
Compound name
14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 181.2
[M+Na]+ 346.18899 194.0
[M+NH4]+ 341.23359 189.0
[M+K]+ 362.16293 186.5
[M-H]- 322.19249 185.2
[M+Na-2H]- 344.17444 187.0
[M]+ 323.19922 184.3
[M]- 323.20032 184.3
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.