CID 3080038

Brn 4259142

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC1(CC2=C(C=CC(=O)O2)C3=C1C4=CC=CC=C4N3)C
InChI
InChI=1S/C17H15NO2/c1-17(2)9-13-11(7-8-14(19)20-13)16-15(17)10-5-3-4-6-12(10)18-16/h3-8,18H,9H2,1-2H3
InChIKey
RCLSWBZKCNXMMT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,11-dihydropyrano[3,2-a]carbazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 158.4
[M+Na]+ 288.09952 171.2
[M-H]- 264.10302 164.2
[M+NH4]+ 283.14412 179.3
[M+K]+ 304.07346 165.8
[M+H-H2O]+ 248.10756 151.5
[M+HCOO]- 310.10850 177.2
[M+CH3COO]- 324.12415 171.8
[M+Na-2H]- 286.08497 166.7
[M]+ 265.10975 161.5
[M]- 265.11085 161.5
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.