CID 54747

Caracemide

Structural Information

Molecular Formula
C6H11N3O4
SMILES
CC(=O)N(C(=O)NC)OC(=O)NC
InChI
InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)
InChIKey
JURAJLFHWXNPHG-UHFFFAOYSA-N
Compound name
[acetyl(methylcarbamoyl)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

14635
Patents

189.07495 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.082226 140.0
[M+Na]+ 212.064168 145.3
[M-H]- 188.067674 142.1
[M+NH4]+ 207.108773 159.3
[M+K]+ 228.038108 148.1
[M+H-H2O]+ 172.072210 133.7
[M+HCOO]- 234.073151 166.0
[M+CH3COO]- 248.088801 189.7
[M+Na-2H]- 210.049616 143.2
[M]+ 189.07440142 141.3
[M]- 189.07549858 141.3
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

patents stripe