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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 162.8
[M+Na]+ 300.09952 175.1
[M-H]- 276.10302 168.3
[M+NH4]+ 295.14412 183.1
[M+K]+ 316.07346 169.5
[M+H-H2O]+ 260.10756 155.6
[M+HCOO]- 322.10850 181.2
[M+CH3COO]- 336.12415 175.7
[M+Na-2H]- 298.08497 170.5
[M]+ 277.10975 166.1
[M]- 277.11085 166.1
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