CID 18931891

200698-05-1

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C=O)C4=C2C=CC(=C4)C=O
InChI
InChI=1S/C21H15NO2/c23-13-16-6-8-20-18(10-16)19-11-17(14-24)7-9-21(19)22(20)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2
InChIKey
RZSXZJXJVWYRIU-UHFFFAOYSA-N
Compound name
9-benzylcarbazole-3,6-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

313.1103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11758 173.4
[M+Na]+ 336.09952 191.2
[M+NH4]+ 331.14412 182.7
[M+K]+ 352.07346 182.7
[M-H]- 312.10302 178.9
[M+Na-2H]- 334.08497 182.5
[M]+ 313.10975 177.8
[M]- 313.11085 177.8
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

patents stripe