CID 4604444

Indole-3-acetyl-tryptophan

Structural Information

Molecular Formula
C21H19N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)
InChIKey
FOSPCYZZRVNHJS-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 184.6
[M+Na]+ 384.13186 195.5
[M+NH4]+ 379.17646 190.2
[M+K]+ 400.10580 193.8
[M-H]- 360.13536 186.1
[M+Na-2H]- 382.11731 189.2
[M]+ 361.14209 186.2
[M]- 361.14319 186.2
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