CID 135564956

Z-phe-ala-diazomethane

Structural Information

Molecular Formula
C21H22N4O4
SMILES
C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1
InChIKey
QMPATRQNERZOMF-YJBOKZPZSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,4E)-4-diazo-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

77
Patents

394.1641 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 192.6
[M+Na]+ 417.15332 201.0
[M+NH4]+ 412.19792 196.8
[M+K]+ 433.12726 198.0
[M-H]- 393.15682 197.2
[M+Na-2H]- 415.13877 198.3
[M]+ 394.16355 194.4
[M]- 394.16465 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.