CID 3018324

Dtxsid901127199

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1CC(=COC(C)C)C(=O)C2=C1C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C18H21NO3/c1-10(2)22-9-12-7-11(3)16-14-8-13(21-4)5-6-15(14)19-17(16)18(12)20/h5-6,8-11,19H,7H2,1-4H3
InChIKey
XWEMTAMPNJACMR-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-2-(propan-2-yloxymethylidene)-4,9-dihydro-3H-carbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.5
[M+Na]+ 322.141348 179.8
[M-H]- 298.144854 173.7
[M+NH4]+ 317.185953 188.4
[M+K]+ 338.115288 174.7
[M+H-H2O]+ 282.149390 164.1
[M+HCOO]- 344.150331 188.0
[M+CH3COO]- 358.165981 204.6
[M+Na-2H]- 320.126796 171.4
[M]+ 299.15158142 173.2
[M]- 299.15267858 173.2
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.