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

25
Patents

313.1103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.117576 173.7
[M+Na]+ 336.099518 184.9
[M-H]- 312.103024 181.8
[M+NH4]+ 331.144123 190.9
[M+K]+ 352.073458 177.8
[M+H-H2O]+ 296.107560 164.9
[M+HCOO]- 358.108501 196.7
[M+CH3COO]- 372.124151 186.2
[M+Na-2H]- 334.084966 179.0
[M]+ 313.10975142 178.1
[M]- 313.11084858 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