CID 9575806

(1e)-2-[(5-tert-butylisoxazol-3-yl)methylamino]-n-methoxy-2-oxo-acetimidoyl cyanide

Structural Information

Molecular Formula
C12H16N4O3
SMILES
CC(C)(C)C1=CC(=NO1)CNC(=O)/C(=N/OC)/C#N
InChI
InChI=1S/C12H16N4O3/c1-12(2,3)10-5-8(15-19-10)7-14-11(17)9(6-13)16-18-4/h5H,7H2,1-4H3,(H,14,17)/b16-9+
InChIKey
RGSWQSOPGCNMIL-CXUHLZMHSA-N
Compound name
(1E)-2-[(5-tert-butyl-1,2-oxazol-3-yl)methylamino]-N-methoxy-2-oxoethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 163.0
[M+Na]+ 287.11147 170.3
[M-H]- 263.11497 166.1
[M+NH4]+ 282.15607 176.8
[M+K]+ 303.08541 170.9
[M+H-H2O]+ 247.11951 148.4
[M+HCOO]- 309.12045 182.0
[M+CH3COO]- 323.13610 212.5
[M+Na-2H]- 285.09692 166.4
[M]+ 264.12170 161.2
[M]- 264.12280 161.2
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.