CID 64405123

2567503-90-4

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=N)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H3,14,15)(H,16,17)
InChIKey
XOBDJBBOCPISBS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-imino-1-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.3
[M+Na]+ 272.13694 162.7
[M-H]- 248.14044 162.0
[M+NH4]+ 267.18154 175.0
[M+K]+ 288.11088 161.5
[M+H-H2O]+ 232.14498 152.4
[M+HCOO]- 294.14592 181.3
[M+CH3COO]- 308.16157 201.1
[M+Na-2H]- 270.12239 162.3
[M]+ 249.14717 156.1
[M]- 249.14827 156.1
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

No patent data available for this compound.