CID 14925139

Tert-butyl n-(4-amino-1-phenylbutan-2-yl)carbamate

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)NC(CCN)CC1=CC=CC=C1
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-13(9-10-16)11-12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18)
InChIKey
PNIGNRWZWINHFQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

264.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 166.2
[M+Na]+ 287.172998 169.6
[M-H]- 263.176504 168.5
[M+NH4]+ 282.217603 181.9
[M+K]+ 303.146938 167.8
[M+H-H2O]+ 247.181040 159.1
[M+HCOO]- 309.181981 187.3
[M+CH3COO]- 323.197631 201.9
[M+Na-2H]- 285.158446 168.9
[M]+ 264.18323142 165.8
[M]- 264.18432858 165.8
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

patents stripe