CID 9575805

Chembl294436

Structural Information

Molecular Formula
C14H18N4O3
SMILES
CC(C)(C)C1=CC(=NO1)CNC(=O)/C(=N/OCC=C)/C#N
InChI
InChI=1S/C14H18N4O3/c1-5-6-20-18-11(8-15)13(19)16-9-10-7-12(21-17-10)14(2,3)4/h5,7H,1,6,9H2,2-4H3,(H,16,19)/b18-11+
InChIKey
VCVCAKWZUQXMTP-WOJGMQOQSA-N
Compound name
(1E)-2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-2-oxo-N-prop-2-enoxyethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.13788 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 171.1
[M+Na]+ 313.12710 177.9
[M-H]- 289.13060 173.9
[M+NH4]+ 308.17170 183.8
[M+K]+ 329.10104 177.5
[M+H-H2O]+ 273.13514 156.2
[M+HCOO]- 335.13608 189.6
[M+CH3COO]- 349.15173 217.1
[M+Na-2H]- 311.11255 173.5
[M]+ 290.13733 169.3
[M]- 290.13843 169.3
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.