CID 24847442

N-(3-(4-chlorophenyl)-3-oxopropyl)-d-tryptophan

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H19ClN2O3/c21-15-7-5-13(6-8-15)19(24)9-10-22-18(20(25)26)11-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18,22-23H,9-11H2,(H,25,26)/t18-/m1/s1
InChIKey
OJXGNNZPQIOHLJ-GOSISDBHSA-N
Compound name
(2R)-2-[[3-(4-chlorophenyl)-3-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10843 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 185.4
[M+Na]+ 393.09765 191.7
[M-H]- 369.10115 189.1
[M+NH4]+ 388.14225 197.8
[M+K]+ 409.07159 184.7
[M+H-H2O]+ 353.10569 177.9
[M+HCOO]- 415.10663 199.9
[M+CH3COO]- 429.12228 213.1
[M+Na-2H]- 391.08310 186.2
[M]+ 370.10788 187.9
[M]- 370.10898 187.9
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

No patent data available for this compound.