CID 9575800

Chembl60415

Structural Information

Molecular Formula
C13H21N3O3
SMILES
CC(C)(C)C1CC(=NO1)CNC(=O)/C=N/OCC=C
InChI
InChI=1S/C13H21N3O3/c1-5-6-18-15-9-12(17)14-8-10-7-11(19-16-10)13(2,3)4/h5,9,11H,1,6-8H2,2-4H3,(H,14,17)/b15-9+
InChIKey
RXOUYVGCWFCDKU-OQLLNIDSSA-N
Compound name
(2E)-N-[(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2-prop-2-enoxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.1583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16558 164.8
[M+Na]+ 290.14752 169.9
[M-H]- 266.15102 168.5
[M+NH4]+ 285.19212 180.5
[M+K]+ 306.12146 169.7
[M+H-H2O]+ 250.15556 157.4
[M+HCOO]- 312.15650 187.3
[M+CH3COO]- 326.17215 202.8
[M+Na-2H]- 288.13297 168.7
[M]+ 267.15775 168.0
[M]- 267.15885 168.0
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.