CID 6450791

Sr 44384 a

Structural Information

Molecular Formula
C25H25Cl2NO2
SMILES
CN(C)CCC(COC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H25Cl2NO2/c1-28(2)15-14-20(23-9-5-7-18-6-3-4-8-22(18)23)17-30-25(29)13-11-19-10-12-21(26)16-24(19)27/h3-13,16,20H,14-15,17H2,1-2H3/b13-11+
InChIKey
KAOIYYCMGIBZTB-ACCUITESSA-N
Compound name
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.12622 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.13350 206.2
[M+Na]+ 464.11544 212.6
[M-H]- 440.11894 213.3
[M+NH4]+ 459.16004 218.2
[M+K]+ 480.08938 205.2
[M+H-H2O]+ 424.12348 198.0
[M+HCOO]- 486.12442 217.3
[M+CH3COO]- 500.14007 234.1
[M+Na-2H]- 462.10089 205.4
[M]+ 441.12567 213.6
[M]- 441.12677 213.6
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.