CID 9587873

N,n'-dicyclohexyl-ureide-carbonyl-ethylidene-nitroaminoguanidine

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]+ 396.23538 182.7
[M+Na]+ 418.21732 176.6
[M-H]- 394.22082 189.0
[M+NH4]+ 413.26192 190.9
[M+K]+ 434.19126 173.9
[M+H-H2O]+ 378.22536 176.6
[M+HCOO]- 440.22630 205.3
[M+CH3COO]- 454.24195 231.5
[M+Na-2H]- 416.20277 184.7
[M]+ 395.22755 170.6
[M]- 395.22865 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.