CID 488171

1-(8-methyl-1,2,3a,4,5,6-hexahydro-3h-pyrazino[3,2,1-jk]carbazol-3-yl)acetone

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(=O)C
InChI
InChI=1S/C18H22N2O/c1-12-6-7-16-15(10-12)14-4-3-5-17-18(14)20(16)9-8-19(17)11-13(2)21/h6-7,10,17H,3-5,8-9,11H2,1-2H3
InChIKey
GQGLLSNQXNYARP-UHFFFAOYSA-N
Compound name
1-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.3
[M+Na]+ 305.16244 176.1
[M-H]- 281.16594 170.7
[M+NH4]+ 300.20704 186.8
[M+K]+ 321.13638 170.5
[M+H-H2O]+ 265.17048 159.9
[M+HCOO]- 327.17142 182.2
[M+CH3COO]- 341.18707 178.7
[M+Na-2H]- 303.14789 170.8
[M]+ 282.17267 168.3
[M]- 282.17377 168.3
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.