CID 3009789

Boc-nh-phe-gln-cho

Structural Information

Molecular Formula
C22H25N3O5
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H25N3O5/c23-20(27)12-11-18(14-26)24-21(28)19(13-16-7-3-1-4-8-16)25-22(29)30-15-17-9-5-2-6-10-17/h1-10,14,18-19H,11-13,15H2,(H2,23,27)(H,24,28)(H,25,29)/t18-,19-/m0/s1
InChIKey
ILRINFIJMBXSGP-OALUTQOASA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1794 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18668 199.1
[M+Na]+ 434.16862 198.6
[M-H]- 410.17212 203.5
[M+NH4]+ 429.21322 206.7
[M+K]+ 450.14256 196.7
[M+H-H2O]+ 394.17666 188.8
[M+HCOO]- 456.17760 219.9
[M+CH3COO]- 470.19325 230.5
[M+Na-2H]- 432.15407 197.6
[M]+ 411.17885 198.6
[M]- 411.17995 198.6
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.