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 170.7
[M+Na]+ 305.19882 178.2
[M-H]- 281.20232 172.8
[M+NH4]+ 300.24342 189.4
[M+K]+ 321.17276 171.9
[M+H-H2O]+ 265.20686 161.9
[M+HCOO]- 327.20780 184.9
[M+CH3COO]- 341.22345 180.9
[M+Na-2H]- 303.18427 173.6
[M]+ 282.20905 170.8
[M]- 282.21015 170.8
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.