CID 87444

6-methoxy-1,4-dimethyl-9h-carbazole-3-carbaldehyde

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)OC)C)C=O
InChI
InChI=1S/C16H15NO2/c1-9-6-11(8-18)10(2)15-13-7-12(19-3)4-5-14(13)17-16(9)15/h4-8,17H,1-3H3
InChIKey
CPXAGPKGSHRHIO-UHFFFAOYSA-N
Compound name
6-methoxy-1,4-dimethyl-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 156.6
[M+Na]+ 276.099498 169.1
[M-H]- 252.103004 161.0
[M+NH4]+ 271.144103 176.8
[M+K]+ 292.073438 163.5
[M+H-H2O]+ 236.107540 150.4
[M+HCOO]- 298.108481 178.5
[M+CH3COO]- 312.124131 170.2
[M+Na-2H]- 274.084946 161.6
[M]+ 253.10973142 161.6
[M]- 253.11082858 161.6
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.