CID 96942

Murrayanine

Structural Information

Molecular Formula
C14H11NO2
SMILES
COC1=CC(=CC2=C1NC3=CC=CC=C32)C=O
InChI
InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3
InChIKey
FWNZQNAJETXQPP-UHFFFAOYSA-N
Compound name
1-methoxy-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

58
Patents

225.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 147.6
[M+Na]+ 248.06820 162.9
[M+NH4]+ 243.11280 156.9
[M+K]+ 264.04214 156.8
[M-H]- 224.07170 150.1
[M+Na-2H]- 246.05365 154.3
[M]+ 225.07843 150.6
[M]- 225.07953 150.6
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