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]+ 297.19615 171.9
[M+Na]+ 319.17809 177.9
[M-H]- 295.18159 172.9
[M+NH4]+ 314.22269 188.4
[M+K]+ 335.15203 171.2
[M+H-H2O]+ 279.18613 163.3
[M+HCOO]- 341.18707 183.8
[M+CH3COO]- 355.20272 180.8
[M+Na-2H]- 317.16354 173.8
[M]+ 296.18832 168.1
[M]- 296.18942 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.