CID 3088862

Sr 44083 a

Structural Information

Molecular Formula
C23H23Cl2NO2
SMILES
CN(C)CCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H23Cl2NO2/c1-26(2)13-12-17(20-9-5-7-16-6-3-4-8-19(16)20)15-28-23(27)21-11-10-18(24)14-22(21)25/h3-11,14,17H,12-13,15H2,1-2H3
InChIKey
KGJLQIJLKJMCOT-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

415.1106 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11788 197.6
[M+Na]+ 438.09982 213.5
[M+NH4]+ 433.14442 206.4
[M+K]+ 454.07376 203.3
[M-H]- 414.10332 203.5
[M+Na-2H]- 436.08527 205.8
[M]+ 415.11005 202.4
[M]- 415.11115 202.4
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