CID 3059045

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

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CCCN1CCN2C3=C(C=CC(=C3)Cl)C4=C2C1CCC4
InChI
InChI=1S/C17H21ClN2/c1-2-8-19-9-10-20-16-11-12(18)6-7-13(16)14-4-3-5-15(19)17(14)20/h6-7,11,15H,2-5,8-10H2,1H3
InChIKey
IMXZNLPFSUYQMB-UHFFFAOYSA-N
Compound name
13-chloro-4-propyl-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

288.1393 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.146576 169.1
[M+Na]+ 311.128518 178.2
[M-H]- 287.132024 171.1
[M+NH4]+ 306.173123 188.3
[M+K]+ 327.102458 170.9
[M+H-H2O]+ 271.136560 160.8
[M+HCOO]- 333.137501 179.3
[M+CH3COO]- 347.153151 179.6
[M+Na-2H]- 309.113966 172.4
[M]+ 288.13875142 170.6
[M]- 288.13984858 170.6
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.