CID 11449252

429689-18-9

Structural Information

Molecular Formula
C19H19NO2
SMILES
CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO2/c1-20-13-17(15-10-6-7-11-18(15)20)16(12-19(21)22-2)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-/m1/s1
InChIKey
NFIUVSIKIXOXQK-MRXNPFEDSA-N
Compound name
methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 168.8
[M+Na]+ 316.13079 183.6
[M+NH4]+ 311.17539 177.3
[M+K]+ 332.10473 177.5
[M-H]- 292.13429 172.9
[M+Na-2H]- 314.11624 177.1
[M]+ 293.14102 172.2
[M]- 293.14212 172.2
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

No patent data available for this compound.