CID 3049245

Brn 2193898

Structural Information

Molecular Formula
C21H38N6O4
SMILES
C1CCC(CC1)NC(=O)N(CCCCCCCN(C(=O)NC2CCCCC2)N=O)N=O
InChI
InChI=1S/C21H38N6O4/c28-20(22-18-12-6-4-7-13-18)26(24-30)16-10-2-1-3-11-17-27(25-31)21(29)23-19-14-8-5-9-15-19/h18-19H,1-17H2,(H,22,28)(H,23,29)
InChIKey
ZQMUHXUMOJYKFU-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[7-[cyclohexylcarbamoyl(nitroso)amino]heptyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.29544 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.30272 201.0
[M+Na]+ 461.28466 194.7
[M-H]- 437.28816 208.6
[M+NH4]+ 456.32926 209.2
[M+K]+ 477.25860 197.0
[M+H-H2O]+ 421.29270 189.2
[M+HCOO]- 483.29364 223.8
[M+CH3COO]- 497.30929 251.7
[M+Na-2H]- 459.27011 200.5
[M]+ 438.29489 197.2
[M]- 438.29599 197.2
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.