CID 262104

1-benzyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O
InChI
InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2
InChIKey
OXCITQLDOUGVRZ-UHFFFAOYSA-N
Compound name
1-benzylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

177
Patents

235.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 152.2
[M+Na]+ 258.08894 168.9
[M+NH4]+ 253.13354 162.0
[M+K]+ 274.06288 161.2
[M-H]- 234.09244 157.3
[M+Na-2H]- 256.07439 162.4
[M]+ 235.09917 156.3
[M]- 235.10027 156.3
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