CID 3059037

1h-pyrazino(3,2,1-jk)carbazole, 2,3,3a,4,5,6-hexahydro-8-methyl-3-propyl-, hydrochloride

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4
InChI
InChI=1S/C18H24N2/c1-3-9-19-10-11-20-16-8-7-13(2)12-15(16)14-5-4-6-17(19)18(14)20/h7-8,12,17H,3-6,9-11H2,1-2H3
InChIKey
PZJFUEZZZSTPSH-UHFFFAOYSA-N
Compound name
12-methyl-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

268.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.1
[M+Na]+ 291.18316 174.1
[M-H]- 267.18666 168.3
[M+NH4]+ 286.22776 185.4
[M+K]+ 307.15710 167.9
[M+H-H2O]+ 251.19120 157.4
[M+HCOO]- 313.19214 180.6
[M+CH3COO]- 327.20779 176.7
[M+Na-2H]- 289.16861 169.5
[M]+ 268.19339 165.9
[M]- 268.19449 165.9
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.