CID 9904297

Tert-butyl n-[(e)-(4-pyridin-2-ylphenyl)methylideneamino]carbamate

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CC(C)(C)OC(=O)N/N=C/C1=CC=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C17H19N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)/b19-12+
InChIKey
PIYYEQIVVRRORO-XDHOZWIPSA-N
Compound name
tert-butyl N-[(E)-(4-pyridin-2-ylphenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

297.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 171.1
[M+Na]+ 320.13696 176.9
[M-H]- 296.14046 177.6
[M+NH4]+ 315.18156 184.9
[M+K]+ 336.11090 173.8
[M+H-H2O]+ 280.14500 161.9
[M+HCOO]- 342.14594 195.0
[M+CH3COO]- 356.16159 208.2
[M+Na-2H]- 318.12241 177.8
[M]+ 297.14719 172.5
[M]- 297.14829 172.5
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