CID 3049244

Brn 2192234

Structural Information

Molecular Formula
C19H34N6O4
SMILES
C1CCC(CC1)NC(=O)N(CCCCCN(C(=O)NC2CCCCC2)N=O)N=O
InChI
InChI=1S/C19H34N6O4/c26-18(20-16-10-4-1-5-11-16)24(22-28)14-8-3-9-15-25(23-29)19(27)21-17-12-6-2-7-13-17/h16-17H,1-15H2,(H,20,26)(H,21,27)
InChIKey
GTNBCVXXMUTXCQ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[5-[cyclohexylcarbamoyl(nitroso)amino]pentyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.26416 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.27144 192.7
[M+Na]+ 433.25338 187.4
[M-H]- 409.25688 200.8
[M+NH4]+ 428.29798 202.1
[M+K]+ 449.22732 190.1
[M+H-H2O]+ 393.26142 181.3
[M+HCOO]- 455.26236 216.2
[M+CH3COO]- 469.27801 245.9
[M+Na-2H]- 431.23883 193.2
[M]+ 410.26361 188.3
[M]- 410.26471 188.3
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.