CID 3945661

Indole-3-acetyl-l-leucine

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC(C)CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
HCZNPUHZYPPINM-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

106
Patents

288.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.9
[M+Na]+ 311.136618 173.8
[M-H]- 287.140124 169.3
[M+NH4]+ 306.181223 183.9
[M+K]+ 327.110558 170.3
[M+H-H2O]+ 271.144660 161.9
[M+HCOO]- 333.145601 186.8
[M+CH3COO]- 347.161251 200.6
[M+Na-2H]- 309.122066 169.1
[M]+ 288.14685142 169.0
[M]- 288.14794858 169.0
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