CID 101085

59583-77-6

Structural Information

Molecular Formula
C24H24Cl2N4O2
SMILES
CCCCN(CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI
InChI=1S/C24H24Cl2N4O2/c1-3-4-9-30(21-7-5-19(17(2)12-21)13-18(15-27)16-28)10-11-32-24(31)29-20-6-8-22(25)23(26)14-20/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,29,31)
InChIKey
YCNGUBLHXKRMKK-UHFFFAOYSA-N
Compound name
2-[N-butyl-4-(2,2-dicyanoethenyl)-3-methylanilino]ethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

470.12762 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.13490 213.5
[M+Na]+ 493.11684 221.8
[M+NH4]+ 488.16144 212.8
[M+K]+ 509.09078 210.0
[M-H]- 469.12034 205.3
[M+Na-2H]- 491.10229 212.1
[M]+ 470.12707 211.5
[M]- 470.12817 211.5
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.