CID 149216

Brn 2188221

Structural Information

Molecular Formula
C16H28N6O4
SMILES
C1CCC(CC1)NC(=O)N(CCN(C(=O)NC2CCCCC2)N=O)N=O
InChI
InChI=1S/C16H28N6O4/c23-15(17-13-7-3-1-4-8-13)21(19-25)11-12-22(20-26)16(24)18-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,23)(H,18,24)
InChIKey
RVKJRHLXLFLTJL-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[2-[cyclohexylcarbamoyl(nitroso)amino]ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2172 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22448 180.2
[M+Na]+ 391.20642 176.1
[M-H]- 367.20992 188.9
[M+NH4]+ 386.25102 191.3
[M+K]+ 407.18036 179.4
[M+H-H2O]+ 351.21446 169.3
[M+HCOO]- 413.21540 204.7
[M+CH3COO]- 427.23105 237.1
[M+Na-2H]- 389.19187 182.0
[M]+ 368.21665 174.8
[M]- 368.21775 174.8
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.