CID 5165230

2-[2-(1h-indol-3-yl)acetamido]-3-methylbutanoic acid

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(C)C(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
AZEGJHGXTSUPPG-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

113
Patents

274.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.5
[M+Na]+ 297.12096 172.0
[M+NH4]+ 292.16556 168.8
[M+K]+ 313.09490 170.3
[M-H]- 273.12446 162.6
[M+Na-2H]- 295.10641 165.9
[M]+ 274.13119 163.9
[M]- 274.13229 163.9
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