CID 3086983

2-butanone, 4-(1,3,4,4a,5,6,11,11a-octahydro-2h-pyrido(4,3-b)carbazol-2-yl)-, cis-

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(=O)CCN1CC[C@H]2CC3=C(C[C@H]2C1)C4=CC=CC=C4N3
InChI
InChI=1S/C19H24N2O/c1-13(22)6-8-21-9-7-14-11-19-17(10-15(14)12-21)16-4-2-3-5-18(16)20-19/h2-5,14-15,20H,6-12H2,1H3/t14-,15-/m0/s1
InChIKey
SGBZBPSNCXFTDQ-GJZGRUSLSA-N
Compound name
4-[(4aS,11aR)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 171.9
[M+Na]+ 319.178088 177.9
[M-H]- 295.181594 172.9
[M+NH4]+ 314.222693 188.4
[M+K]+ 335.152028 171.2
[M+H-H2O]+ 279.186130 163.3
[M+HCOO]- 341.187071 183.8
[M+CH3COO]- 355.202721 180.8
[M+Na-2H]- 317.163536 173.8
[M]+ 296.18832142 168.1
[M]- 296.18941858 168.1
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.