CID 46223140

1253790-58-7

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKey
CTFYHNRRPGOYJS-GFCCVEGCSA-N
Compound name
tert-butyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

294.15796 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.3
[M+Na]+ 317.14718 173.1
[M-H]- 293.15068 171.8
[M+NH4]+ 312.19178 184.1
[M+K]+ 333.12112 172.1
[M+H-H2O]+ 277.15522 163.3
[M+HCOO]- 339.15616 190.2
[M+CH3COO]- 353.17181 203.7
[M+Na-2H]- 315.13263 172.8
[M]+ 294.15741 170.6
[M]- 294.15851 170.6
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

patents stripe