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]+ 307.165236 174.7
[M+Na]+ 329.147178 176.8
[M-H]- 305.150684 177.2
[M+NH4]+ 324.191783 188.2
[M+K]+ 345.121118 176.3
[M+H-H2O]+ 289.155220 166.8
[M+HCOO]- 351.156161 195.4
[M+CH3COO]- 365.171811 210.5
[M+Na-2H]- 327.132626 173.7
[M]+ 306.15741142 175.8
[M]- 306.15850858 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

literature stripe

Patent stripe

No patent data available for this compound.