CID 3059039

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

Structural Information

Molecular Formula
C19H26N2
SMILES
CCCCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4
InChI
InChI=1S/C19H26N2/c1-3-4-10-20-11-12-21-17-9-8-14(2)13-16(17)15-6-5-7-18(20)19(15)21/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKey
OJJYFSQQHXPCMZ-UHFFFAOYSA-N
Compound name
4-butyl-12-methyl-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

282.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 169.5
[M+Na]+ 305.19882 183.7
[M+NH4]+ 300.24342 179.9
[M+K]+ 321.17276 175.7
[M-H]- 281.20232 172.7
[M+Na-2H]- 303.18427 172.9
[M]+ 282.20905 172.6
[M]- 282.21015 172.6
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.