CID 622083

3,6-diacetyl-9-ethylcarbazole

Structural Information

Molecular Formula
C18H17NO2
SMILES
CCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C
InChI
InChI=1S/C18H17NO2/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19/h5-10H,4H2,1-3H3
InChIKey
RIRBXBVFZCKFNX-UHFFFAOYSA-N
Compound name
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

602
Patents

279.12592 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.8
[M+Na]+ 302.115138 175.5
[M-H]- 278.118644 169.9
[M+NH4]+ 297.159743 184.0
[M+K]+ 318.089078 170.6
[M+H-H2O]+ 262.123180 158.0
[M+HCOO]- 324.124121 185.6
[M+CH3COO]- 338.139771 204.5
[M+Na-2H]- 300.100586 167.5
[M]+ 279.12537142 169.8
[M]- 279.12646858 169.8
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

patents stripe