CID 127395

Cbz-phe-omc

Structural Information

Molecular Formula
C27H23NO6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C27H23NO6/c1-18-14-25(29)34-24-16-21(12-13-22(18)24)33-26(30)23(15-19-8-4-2-5-9-19)28-27(31)32-17-20-10-6-3-7-11-20/h2-14,16,23H,15,17H2,1H3,(H,28,31)/t23-/m0/s1
InChIKey
JGQVYOGORCXLAA-QHCPKHFHSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

457.15253 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.15981 210.2
[M+Na]+ 480.14175 214.4
[M-H]- 456.14525 220.6
[M+NH4]+ 475.18635 216.5
[M+K]+ 496.11569 212.2
[M+H-H2O]+ 440.14979 198.5
[M+HCOO]- 502.15073 229.3
[M+CH3COO]- 516.16638 234.6
[M+Na-2H]- 478.12720 212.5
[M]+ 457.15198 214.6
[M]- 457.15308 214.6
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.