CID 74468

1757-72-8

Structural Information

Molecular Formula
C16H13NO
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=O
InChI
InChI=1S/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
YJOWMBICANYBLV-UHFFFAOYSA-N
Compound name
1-methyl-2-phenylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

193
Patents

235.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.106996 151.5
[M+Na]+ 258.088938 162.8
[M-H]- 234.092444 158.9
[M+NH4]+ 253.133543 171.2
[M+K]+ 274.062878 157.4
[M+H-H2O]+ 218.096980 144.0
[M+HCOO]- 280.097921 176.4
[M+CH3COO]- 294.113571 165.6
[M+Na-2H]- 256.074386 157.6
[M]+ 235.09917142 154.7
[M]- 235.10026858 154.7
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