CID 15958162

L-tryptophan, n-[(7-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)carbonyl]-

Structural Information

Molecular Formula
C24H25N5O3
SMILES
C1CCC(CC1)C2=CC=NC3=C(C=NN23)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C24H25N5O3/c30-23(28-20(24(31)32)12-16-13-26-19-9-5-4-8-17(16)19)18-14-27-29-21(10-11-25-22(18)29)15-6-2-1-3-7-15/h4-5,8-11,13-15,20,26H,1-3,6-7,12H2,(H,28,30)(H,31,32)
InChIKey
OKBWWVULWRDACU-UHFFFAOYSA-N
Compound name
2-[(7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.19574 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 197.5
[M+Na]+ 454.18496 201.7
[M-H]- 430.18846 201.9
[M+NH4]+ 449.22956 204.4
[M+K]+ 470.15890 195.3
[M+H-H2O]+ 414.19300 186.9
[M+HCOO]- 476.19394 209.9
[M+CH3COO]- 490.20959 203.9
[M+Na-2H]- 452.17041 196.8
[M]+ 431.19519 195.2
[M]- 431.19629 195.2
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

No patent data available for this compound.