CID 112525

Einecs 263-736-3

Structural Information

Molecular Formula
C14H26N4O3
SMILES
CCOC(=O)N(C)C(=NC(=O)NC1CCCCC1)N(C)C
InChI
InChI=1S/C14H26N4O3/c1-5-21-14(20)18(4)13(17(2)3)16-12(19)15-11-9-7-6-8-10-11/h11H,5-10H2,1-4H3,(H,15,19)
InChIKey
UJHNZPYZZZECRI-UHFFFAOYSA-N
Compound name
ethyl N-[N'-(cyclohexylcarbamoyl)-N,N-dimethylcarbamimidoyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

298.2005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.207776 173.9
[M+Na]+ 321.189718 173.8
[M-H]- 297.193224 179.9
[M+NH4]+ 316.234323 189.3
[M+K]+ 337.163658 176.7
[M+H-H2O]+ 281.197760 165.2
[M+HCOO]- 343.198701 197.3
[M+CH3COO]- 357.214351 218.7
[M+Na-2H]- 319.175166 173.2
[M]+ 298.19995142 172.4
[M]- 298.20104858 172.4
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

patents stripe