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

89
Patents

288.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 168.9
[M+Na]+ 311.13662 173.8
[M-H]- 287.14012 169.3
[M+NH4]+ 306.18122 183.9
[M+K]+ 327.11056 170.3
[M+H-H2O]+ 271.14466 161.9
[M+HCOO]- 333.14560 186.8
[M+CH3COO]- 347.16125 200.6
[M+Na-2H]- 309.12207 169.1
[M]+ 288.14685 169.0
[M]- 288.14795 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