CID 121813

1,2-diphenyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C21H15NO
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C=O
InChI
InChI=1S/C21H15NO/c23-15-19-18-13-7-8-14-20(18)22(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1-15H
InChIKey
VSWUURYDUFEIQQ-UHFFFAOYSA-N
Compound name
1,2-diphenylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

297.11536 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12264 169.8
[M+Na]+ 320.10458 180.0
[M-H]- 296.10808 179.9
[M+NH4]+ 315.14918 186.1
[M+K]+ 336.07852 172.8
[M+H-H2O]+ 280.11262 160.4
[M+HCOO]- 342.11356 194.0
[M+CH3COO]- 356.12921 182.4
[M+Na-2H]- 318.09003 175.1
[M]+ 297.11481 171.7
[M]- 297.11591 171.7
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