CID 37350

Brn 0837633

Structural Information

Molecular Formula
C19H22ClN3
SMILES
CN1CCN(CC1)C2C3=C(CCC4=C2C=C(C=C4)Cl)N=CC=C3
InChI
InChI=1S/C19H22ClN3/c1-22-9-11-23(12-10-22)19-16-3-2-8-21-18(16)7-5-14-4-6-15(20)13-17(14)19/h2-4,6,8,13,19H,5,7,9-12H2,1H3
InChIKey
OVWAXFPEDFBAPL-UHFFFAOYSA-N
Compound name
14-chloro-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

327.15024 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15752 178.9
[M+Na]+ 350.13946 193.1
[M+NH4]+ 345.18406 187.6
[M+K]+ 366.11340 184.5
[M-H]- 326.14296 183.4
[M+Na-2H]- 348.12491 185.4
[M]+ 327.14969 182.7
[M]- 327.15079 182.7
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.