CID 3088924

119585-24-9

Structural Information

Molecular Formula
C27H31Cl2NO2
SMILES
CN(C)CCCCCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C27H31Cl2NO2/c1-30(2)17-8-4-3-5-11-21(24-14-9-12-20-10-6-7-13-23(20)24)19-32-27(31)25-16-15-22(28)18-26(25)29/h6-7,9-10,12-16,18,21H,3-5,8,11,17,19H2,1-2H3
InChIKey
RVEYJNMCFSYPOS-UHFFFAOYSA-N
Compound name
[8-(dimethylamino)-2-naphthalen-1-yloctyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1732 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18048 216.1
[M+Na]+ 494.16242 221.1
[M-H]- 470.16592 222.6
[M+NH4]+ 489.20702 226.7
[M+K]+ 510.13636 213.9
[M+H-H2O]+ 454.17046 207.3
[M+HCOO]- 516.17140 226.2
[M+CH3COO]- 530.18705 241.0
[M+Na-2H]- 492.14787 214.2
[M]+ 471.17265 224.8
[M]- 471.17375 224.8
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.