CID 5063

Rhc 80267

Structural Information

Molecular Formula
C20H34N4O4
SMILES
C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1
InChI
InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
InChIKey
RXSVYGIGWRDVQC-UHFFFAOYSA-N
Compound name
(cyclohexylideneamino) N-[6-[(cyclohexylideneamino)oxycarbonylamino]hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

147
References

1466
Patents

394.258 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26528 197.8
[M+Na]+ 417.24722 200.3
[M+NH4]+ 412.29182 201.9
[M+K]+ 433.22116 195.0
[M-H]- 393.25072 200.7
[M+Na-2H]- 415.23267 199.6
[M]+ 394.25745 198.0
[M]- 394.25855 198.0
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