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]+ 269.201216 166.1
[M+Na]+ 291.183158 174.1
[M-H]- 267.186664 168.3
[M+NH4]+ 286.227763 185.4
[M+K]+ 307.157098 167.9
[M+H-H2O]+ 251.191200 157.4
[M+HCOO]- 313.192141 180.6
[M+CH3COO]- 327.207791 176.7
[M+Na-2H]- 289.168606 169.5
[M]+ 268.19339142 165.9
[M]- 268.19448858 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.