CID 208720

Brn 2192771

Structural Information

Molecular Formula
C20H36N6O4
SMILES
C1CCC(CC1)NC(=O)N(CCCCCCN(C(=O)NC2CCCCC2)N=O)N=O
InChI
InChI=1S/C20H36N6O4/c27-19(21-17-11-5-3-6-12-17)25(23-29)15-9-1-2-10-16-26(24-30)20(28)22-18-13-7-4-8-14-18/h17-18H,1-16H2,(H,21,27)(H,22,28)
InChIKey
WBNGYSPREOXWID-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[6-[cyclohexylcarbamoyl(nitroso)amino]hexyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.28710 196.9
[M+Na]+ 447.26904 191.0
[M-H]- 423.27254 204.7
[M+NH4]+ 442.31364 205.7
[M+K]+ 463.24298 193.6
[M+H-H2O]+ 407.27708 185.2
[M+HCOO]- 469.27802 220.0
[M+CH3COO]- 483.29367 248.8
[M+Na-2H]- 445.25449 196.8
[M]+ 424.27927 192.8
[M]- 424.28037 192.8
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

No patent data available for this compound.