CID 93668

Einecs 260-728-1

Structural Information

Molecular Formula
C26H24N6O2
SMILES
C1=CC(=C(C=C1NC(=O)CCCCCCCCC(=O)NC2=CC(=C(C=C2)C#N)C#N)C#N)C#N
InChI
InChI=1S/C26H24N6O2/c27-15-19-9-11-23(13-21(19)17-29)31-25(33)7-5-3-1-2-4-6-8-26(34)32-24-12-10-20(16-28)22(14-24)18-30/h9-14H,1-8H2,(H,31,33)(H,32,34)
InChIKey
NSKQFRRGJXVKEE-UHFFFAOYSA-N
Compound name
N,N'-bis(3,4-dicyanophenyl)decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

452.19608 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20336 179.2
[M+Na]+ 475.18530 183.2
[M-H]- 451.18880 182.2
[M+NH4]+ 470.22990 180.8
[M+K]+ 491.15924 180.2
[M+H-H2O]+ 435.19334 170.3
[M+HCOO]- 497.19428 180.1
[M+CH3COO]- 511.20993 255.3
[M+Na-2H]- 473.17075 174.8
[M]+ 452.19553 173.8
[M]- 452.19663 173.8
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