CID 376328

2-acetyl-1,2-dihydroellipticine

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC1=C2CN(C=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(=O)C
InChI
InChI=1S/C19H18N2O/c1-11-16-10-21(13(3)22)9-8-14(16)12(2)19-18(11)15-6-4-5-7-17(15)20-19/h4-9,20H,10H2,1-3H3
InChIKey
CNBKZUVGEAKGEQ-UHFFFAOYSA-N
Compound name
1-(5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 170.0
[M+Na]+ 313.13112 181.1
[M-H]- 289.13462 173.3
[M+NH4]+ 308.17572 187.8
[M+K]+ 329.10506 173.9
[M+H-H2O]+ 273.13916 162.2
[M+HCOO]- 335.14010 186.3
[M+CH3COO]- 349.15575 181.4
[M+Na-2H]- 311.11657 173.6
[M]+ 290.14135 171.4
[M]- 290.14245 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.