CID 101881383

1189108-44-8

Structural Information

Molecular Formula
C22H25N3O6
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C=O)NC(=O)CNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H25N3O6/c1-15(21(29)25-18(13-26)11-16-7-9-19(27)10-8-16)24-20(28)12-23-22(30)31-14-17-5-3-2-4-6-17/h2-10,13,15,18,27H,11-12,14H2,1H3,(H,23,30)(H,24,28)(H,25,29)/t15-,18-/m0/s1
InChIKey
VVAQOGZJSOLJIB-YJBOKZPZSA-N
Compound name
benzyl N-[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.17435 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18163 201.4
[M+Na]+ 450.16357 207.0
[M+NH4]+ 445.20817 203.4
[M+K]+ 466.13751 204.3
[M-H]- 426.16707 202.2
[M+Na-2H]- 448.14902 204.4
[M]+ 427.17380 201.5
[M]- 427.17490 201.5
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.