CID 5319962

Murrayacine

Structural Information

Molecular Formula

C₁₈H₁₅NO₂

SMILES

CC1(C=CC2=C(O1)C(=CC3=C2NC4=CC=CC=C43)C=O)C

InChI

InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3

InChIKey

UBTAPPWQYRWQOH-UHFFFAOYSA-N

Compound name

3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 277.1103 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.11758	162.8
[M+Na]+	300.09952	179.3
[M+NH4]+	295.14412	174.0
[M+K]+	316.07346	170.5
[M-H]-	276.10302	167.6
[M+Na-2H]-	298.08497	169.5
[M]+	277.10975	166.9
[M]-	277.11085	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe