CID 3018329

Neyfyclojhbsee-uhfffaoysa-n

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1CC(=CO)C(=O)C2=C1C3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C15H15NO3/c1-8-5-9(7-17)15(18)14-13(8)11-6-10(19-2)3-4-12(11)16-14/h3-4,6-8,16-17H,5H2,1-2H3
InChIKey
NEYFYCLOJHBSEE-UHFFFAOYSA-N
Compound name
2-(hydroxymethylidene)-6-methoxy-4-methyl-4,9-dihydro-3H-carbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 156.8
[M+Na]+ 280.094418 167.4
[M-H]- 256.097924 159.2
[M+NH4]+ 275.139023 175.8
[M+K]+ 296.068358 161.6
[M+H-H2O]+ 240.102460 151.1
[M+HCOO]- 302.103401 174.9
[M+CH3COO]- 316.119051 192.4
[M+Na-2H]- 278.079866 160.1
[M]+ 257.10465142 157.4
[M]- 257.10574858 157.4
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.