CID 303977

Tert-butyl n-[1-(hydrazinecarbonyl)-2-phenylethyl]carbamate

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NN
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11(12(18)17-15)9-10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
GHSCWLGHLYTNJH-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

279.1583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.165576 166.7
[M+Na]+ 302.147518 169.6
[M-H]- 278.151024 169.3
[M+NH4]+ 297.192123 181.2
[M+K]+ 318.121458 168.8
[M+H-H2O]+ 262.155560 159.3
[M+HCOO]- 324.156501 188.6
[M+CH3COO]- 338.172151 205.7
[M+Na-2H]- 300.132966 169.3
[M]+ 279.15775142 165.2
[M]- 279.15884858 165.2
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

patents stripe