CID 117605

25692-86-8

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C21H24N2O5/c1-21(2,28-20(27)23-17(19(25)26)12-13-18(22)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)/t17-/m0/s1
InChIKey
BQPZWQIOIKVHCC-KRWDZBQOSA-N
Compound name
(2S)-5-amino-5-oxo-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.175796 191.2
[M+Na]+ 407.157738 193.0
[M-H]- 383.161244 195.1
[M+NH4]+ 402.202343 200.2
[M+K]+ 423.131678 190.9
[M+H-H2O]+ 367.165780 182.6
[M+HCOO]- 429.166721 209.1
[M+CH3COO]- 443.182371 222.1
[M+Na-2H]- 405.143186 190.8
[M]+ 384.16797142 190.7
[M]- 384.16906858 190.7
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.