CID 9575795

Chembl291871

Structural Information

Molecular Formula
C14H22N4O3
SMILES
CC(C)O/N=C(\C#N)/C(=O)NCC1=NOC(C1)C(C)(C)C
InChI
InChI=1S/C14H22N4O3/c1-9(2)20-18-11(7-15)13(19)16-8-10-6-12(21-17-10)14(3,4)5/h9,12H,6,8H2,1-5H3,(H,16,19)/b18-11+
InChIKey
XTABNRSTTFFDOQ-WOJGMQOQSA-N
Compound name
(1E)-2-[(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.1692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.17648 171.9
[M+Na]+ 317.15842 177.4
[M-H]- 293.16192 174.6
[M+NH4]+ 312.20302 184.5
[M+K]+ 333.13236 178.2
[M+H-H2O]+ 277.16646 157.3
[M+HCOO]- 339.16740 188.2
[M+CH3COO]- 353.18305 219.0
[M+Na-2H]- 315.14387 172.7
[M]+ 294.16865 169.1
[M]- 294.16975 169.1
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

No patent data available for this compound.