CID 9571566

159016-22-5

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)N/N=C(/CC1=CC=CC=C1)\N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-15-11(14)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,14,15)(H,16,17)
InChIKey
OFHSGIRZKLLPRM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(Z)-(1-amino-2-phenylethylidene)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.2
[M+Na]+ 272.13694 163.3
[M-H]- 248.14044 163.3
[M+NH4]+ 267.18154 175.8
[M+K]+ 288.11088 162.3
[M+H-H2O]+ 232.14498 151.8
[M+HCOO]- 294.14592 183.7
[M+CH3COO]- 308.16157 202.0
[M+Na-2H]- 270.12239 163.8
[M]+ 249.14717 158.4
[M]- 249.14827 158.4
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.