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]+ 295.176476 171.9
[M+Na]+ 317.158418 177.4
[M-H]- 293.161924 174.6
[M+NH4]+ 312.203023 184.5
[M+K]+ 333.132358 178.2
[M+H-H2O]+ 277.166460 157.3
[M+HCOO]- 339.167401 188.2
[M+CH3COO]- 353.183051 219.0
[M+Na-2H]- 315.143866 172.7
[M]+ 294.16865142 169.1
[M]- 294.16974858 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.