CID 85187949

Tert-butyl n-[2-(2-amino-3-phenylpropanamido)ethyl]carbamate

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-9-18-14(20)13(17)11-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKey
ODZMHGLNNDLDMN-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.1896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.19688 175.7
[M+Na]+ 330.17882 177.7
[M-H]- 306.18232 177.9
[M+NH4]+ 325.22342 189.1
[M+K]+ 346.15276 176.5
[M+H-H2O]+ 290.18686 168.0
[M+HCOO]- 352.18780 196.9
[M+CH3COO]- 366.20345 211.7
[M+Na-2H]- 328.16427 177.3
[M]+ 307.18905 175.0
[M]- 307.19015 175.0
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