CID 3059047

1h-pyrazino(3,2,1-jk)carbazole, 2,3,3a,4,5,6-hexahydro-3-butyl-9-chloro-, hydrochloride

Structural Information

Molecular Formula
C18H23ClN2
SMILES
CCCCN1CCN2C3=C(C=CC(=C3)Cl)C4=C2C1CCC4
InChI
InChI=1S/C18H23ClN2/c1-2-3-9-20-10-11-21-17-12-13(19)7-8-14(17)15-5-4-6-16(20)18(15)21/h7-8,12,16H,2-6,9-11H2,1H3
InChIKey
CZQLDWJQWSFEFC-UHFFFAOYSA-N
Compound name
4-butyl-13-chloro-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16225 170.5
[M+Na]+ 325.14419 185.8
[M+NH4]+ 320.18879 181.3
[M+K]+ 341.11813 177.0
[M-H]- 301.14769 173.8
[M+Na-2H]- 323.12964 174.2
[M]+ 302.15442 174.1
[M]- 302.15552 174.1
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.