CID 5479503

Cbz-val-ala-h

Structural Information

Molecular Formula
C16H22N2O4
SMILES
C[C@@H](C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H22N2O4/c1-11(2)14(15(20)17-12(3)9-19)18-16(21)22-10-13-7-5-4-6-8-13/h4-9,11-12,14H,10H2,1-3H3,(H,17,20)(H,18,21)/t12-,14-/m0/s1
InChIKey
FHTHQGKVFWSOJV-JSGCOSHPSA-N
Compound name
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 174.7
[M+Na]+ 329.14718 176.8
[M-H]- 305.15068 177.2
[M+NH4]+ 324.19178 188.2
[M+K]+ 345.12112 176.3
[M+H-H2O]+ 289.15522 166.8
[M+HCOO]- 351.15616 195.4
[M+CH3COO]- 365.17181 210.5
[M+Na-2H]- 327.13263 173.7
[M]+ 306.15741 175.8
[M]- 306.15851 175.8
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.