CID 18931891

9-benzylcarbazole-3,6-dicarboxaldehyde

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

26
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 173.7
[M+Na]+ 336.09952 184.9
[M-H]- 312.10302 181.8
[M+NH4]+ 331.14412 190.9
[M+K]+ 352.07346 177.8
[M+H-H2O]+ 296.10756 164.9
[M+HCOO]- 358.10850 196.7
[M+CH3COO]- 372.12415 186.2
[M+Na-2H]- 334.08497 179.0
[M]+ 313.10975 178.1
[M]- 313.11085 178.1
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