CID 74117

1589-62-4

Structural Information

Molecular Formula
C12H14N4O4
SMILES
C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1
InChI
InChI=1S/C12H14N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h6-8,14H,1-5H2
InChIKey
QLWXZRVOHCYKKK-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

278.1015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10878 162.6
[M+Na]+ 301.09072 173.7
[M+NH4]+ 296.13532 169.7
[M+K]+ 317.06466 172.6
[M-H]- 277.09422 169.6
[M+Na-2H]- 299.07617 168.7
[M]+ 278.10095 165.6
[M]- 278.10205 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe