CID 3088914

Sr 44603 a

Structural Information

Molecular Formula
C24H25Cl2NO2
SMILES
CN(C)CCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C24H25Cl2NO2/c1-27(2)14-6-9-18(21-11-5-8-17-7-3-4-10-20(17)21)16-29-24(28)22-13-12-19(25)15-23(22)26/h3-5,7-8,10-13,15,18H,6,9,14,16H2,1-2H3
InChIKey
IOXKYFICDHXGPO-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

429.12622 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13350 202.3
[M+Na]+ 452.11544 208.7
[M-H]- 428.11894 209.5
[M+NH4]+ 447.16004 214.7
[M+K]+ 468.08938 202.2
[M+H-H2O]+ 412.12348 194.2
[M+HCOO]- 474.12442 213.5
[M+CH3COO]- 488.14007 232.6
[M+Na-2H]- 450.10089 202.1
[M]+ 429.12567 210.1
[M]- 429.12677 210.1
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

patents stripe