CID 2805637

Ccg-51923

Structural Information

Molecular Formula
C12H16N4O4
SMILES
CC1=CC(=NO1)NC(=O)C(=O)NC2CCCCNC2=O
InChI
InChI=1S/C12H16N4O4/c1-7-6-9(16-20-7)15-12(19)11(18)14-8-4-2-3-5-13-10(8)17/h6,8H,2-5H2,1H3,(H,13,17)(H,14,18)(H,15,16,19)
InChIKey
SWCHPOBBWNDPRD-UHFFFAOYSA-N
Compound name
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxoazepan-3-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.124436 162.9
[M+Na]+ 303.106378 165.6
[M-H]- 279.109884 167.3
[M+NH4]+ 298.150983 173.9
[M+K]+ 319.080318 169.1
[M+H-H2O]+ 263.114420 153.1
[M+HCOO]- 325.115361 180.2
[M+CH3COO]- 339.131011 199.2
[M+Na-2H]- 301.091826 163.8
[M]+ 280.11661142 156.1
[M]- 280.11770858 156.1
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.