CID 11449252

429689-16-7

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 169.9
[M+Na]+ 316.13079 178.0
[M-H]- 292.13429 176.5
[M+NH4]+ 311.17539 186.6
[M+K]+ 332.10473 173.6
[M+H-H2O]+ 276.13883 161.5
[M+HCOO]- 338.13977 191.8
[M+CH3COO]- 352.15542 203.4
[M+Na-2H]- 314.11624 172.7
[M]+ 293.14102 173.7
[M]- 293.14212 173.7
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

No patent data available for this compound.