CID 3040436

Brn 2294654

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CC(=O)C1=CC=CC=C1OC(=NC)NOC(=O)NC
InChI
InChI=1S/C12H15N3O4/c1-8(16)9-6-4-5-7-10(9)18-11(13-2)15-19-12(17)14-3/h4-7H,1-3H3,(H,13,15)(H,14,17)
InChIKey
IMBXXIROGNXGHS-UHFFFAOYSA-N
Compound name
[[C-(2-acetylphenoxy)-N-methylcarbonimidoyl]amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 160.6
[M+Na]+ 288.09548 168.1
[M+NH4]+ 283.14008 165.5
[M+K]+ 304.06942 164.7
[M-H]- 264.09898 161.6
[M+Na-2H]- 286.08093 164.5
[M]+ 265.10571 161.3
[M]- 265.10681 161.3
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.