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]+ 308.196876 175.7
[M+Na]+ 330.178818 177.7
[M-H]- 306.182324 177.9
[M+NH4]+ 325.223423 189.1
[M+K]+ 346.152758 176.5
[M+H-H2O]+ 290.186860 168.0
[M+HCOO]- 352.187801 196.9
[M+CH3COO]- 366.203451 211.7
[M+Na-2H]- 328.164266 177.3
[M]+ 307.18905142 175.0
[M]- 307.19014858 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