CID 101085

Einecs 261-815-7

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 210.5
[M+Na]+ 493.11684 219.3
[M-H]- 469.12034 214.6
[M+NH4]+ 488.16144 216.8
[M+K]+ 509.09078 211.6
[M+H-H2O]+ 453.12488 194.7
[M+HCOO]- 515.12582 216.0
[M+CH3COO]- 529.14147 252.4
[M+Na-2H]- 491.10229 206.0
[M]+ 470.12707 206.8
[M]- 470.12817 206.8
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.