CID 9587873

Propanamide, n-cyclohexyl-n-((cyclohexylamino)carbonyl)-3-((imino(nitroamino)methyl)hydrazono)-

Structural Information

Molecular Formula
C17H29N7O4
SMILES
C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)C/C=N/N=C(/N)\N[N+](=O)[O-]
InChI
InChI=1S/C17H29N7O4/c18-16(22-24(27)28)21-19-12-11-15(25)23(14-9-5-2-6-10-14)17(26)20-13-7-3-1-4-8-13/h12-14H,1-11H2,(H,20,26)(H3,18,21,22)/b19-12+
InChIKey
KEIIQYUUAMFLEN-XDHOZWIPSA-N
Compound name
(3E)-3-[(Z)-[amino(nitramido)methylidene]hydrazinylidene]-N-cyclohexyl-N-(cyclohexylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2281 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.235376 182.7
[M+Na]+ 418.217318 176.6
[M-H]- 394.220824 189.0
[M+NH4]+ 413.261923 190.9
[M+K]+ 434.191258 173.9
[M+H-H2O]+ 378.225360 176.6
[M+HCOO]- 440.226301 205.3
[M+CH3COO]- 454.241951 231.5
[M+Na-2H]- 416.202766 184.7
[M]+ 395.22755142 170.6
[M]- 395.22864858 170.6
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.