CID 16217869

9-(2-ethylhexyl)carbazole-3,6-dicarboxaldehyde

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCCCC(CC)CN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)C=O
InChI
InChI=1S/C22H25NO2/c1-3-5-6-16(4-2)13-23-21-9-7-17(14-24)11-19(21)20-12-18(15-25)8-10-22(20)23/h7-12,14-16H,3-6,13H2,1-2H3
InChIKey
JWQOZEXSBKOAAL-UHFFFAOYSA-N
Compound name
9-(2-ethylhexyl)carbazole-3,6-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

335.18854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 184.1
[M+Na]+ 358.17776 193.2
[M-H]- 334.18126 188.2
[M+NH4]+ 353.22236 200.9
[M+K]+ 374.15170 186.8
[M+H-H2O]+ 318.18580 176.1
[M+HCOO]- 380.18674 204.4
[M+CH3COO]- 394.20239 215.4
[M+Na-2H]- 356.16321 185.5
[M]+ 335.18799 190.9
[M]- 335.18909 190.9
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