CID 3057376

Brn 1157435

Structural Information

Molecular Formula
C12H20N4O4
SMILES
C1COCCN1C(=O)N/C=C/NC(=O)N2CCOCC2
InChI
InChI=1S/C12H20N4O4/c17-11(15-3-7-19-8-4-15)13-1-2-14-12(18)16-5-9-20-10-6-16/h1-2H,3-10H2,(H,13,17)(H,14,18)/b2-1+
InChIKey
BHVQAZYNMBQJHN-OWOJBTEDSA-N
Compound name
N-[(E)-2-(morpholine-4-carbonylamino)ethenyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14847 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15575 168.2
[M+Na]+ 307.13769 168.3
[M-H]- 283.14119 171.1
[M+NH4]+ 302.18229 176.6
[M+K]+ 323.11163 168.9
[M+H-H2O]+ 267.14573 158.1
[M+HCOO]- 329.14667 181.5
[M+CH3COO]- 343.16232 198.9
[M+Na-2H]- 305.12314 171.3
[M]+ 284.14792 160.8
[M]- 284.14902 160.8
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.