CID 52557

Brn 0491698

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)OC
InChI
InChI=1S/C15H18N2O3/c1-10(18)16-13(15(19)20-3)8-11-9-17(2)14-7-5-4-6-12(11)14/h4-7,9,13H,8H2,1-3H3,(H,16,18)
InChIKey
HXUDOEOOKOEWJJ-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-3-(1-methylindol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.5
[M+Na]+ 297.12096 171.2
[M-H]- 273.12446 167.2
[M+NH4]+ 292.16556 181.1
[M+K]+ 313.09490 168.9
[M+H-H2O]+ 257.12900 156.4
[M+HCOO]- 319.12994 185.9
[M+CH3COO]- 333.14559 202.1
[M+Na-2H]- 295.10641 165.7
[M]+ 274.13119 167.9
[M]- 274.13229 167.9
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