CID 24847442

D-tryptophan, n-(3-(4-chlorophenyl)-3-oxopropyl)-

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]+ 371.115706 185.4
[M+Na]+ 393.097648 191.7
[M-H]- 369.101154 189.1
[M+NH4]+ 388.142253 197.8
[M+K]+ 409.071588 184.7
[M+H-H2O]+ 353.105690 177.9
[M+HCOO]- 415.106631 199.9
[M+CH3COO]- 429.122281 213.1
[M+Na-2H]- 391.083096 186.2
[M]+ 370.10788142 187.9
[M]- 370.10897858 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.