CID 149217

Brn 2190071

Structural Information

Molecular Formula
C17H30N6O4
SMILES
C1CCC(CC1)NC(=O)N(CCCN(C(=O)NC2CCCCC2)N=O)N=O
InChI
InChI=1S/C17H30N6O4/c24-16(18-14-8-3-1-4-9-14)22(20-26)12-7-13-23(21-27)17(25)19-15-10-5-2-6-11-15/h14-15H,1-13H2,(H,18,24)(H,19,25)
InChIKey
XWQRNNGOEIXWIO-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[3-[cyclohexylcarbamoyl(nitroso)amino]propyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23285 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24013 184.4
[M+Na]+ 405.22207 179.9
[M-H]- 381.22557 192.9
[M+NH4]+ 400.26667 195.0
[M+K]+ 421.19601 183.0
[M+H-H2O]+ 365.23011 173.3
[M+HCOO]- 427.23105 208.6
[M+CH3COO]- 441.24670 240.0
[M+Na-2H]- 403.20752 185.8
[M]+ 382.23230 179.3
[M]- 382.23340 179.3
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.