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
1
Annotation Hits

0
References

2
Patents

298.2005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20778 173.9
[M+Na]+ 321.18972 173.8
[M-H]- 297.19322 179.9
[M+NH4]+ 316.23432 189.3
[M+K]+ 337.16366 176.7
[M+H-H2O]+ 281.19776 165.2
[M+HCOO]- 343.19870 197.3
[M+CH3COO]- 357.21435 218.7
[M+Na-2H]- 319.17517 173.2
[M]+ 298.19995 172.4
[M]- 298.20105 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