CID 3088912

119585-18-1

Structural Information

Molecular Formula
C25H25Cl2NO3
SMILES
C1COCCN1CCC(COC(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H25Cl2NO3/c26-20-8-9-22(24(27)16-20)19(10-11-28-12-14-30-15-13-28)17-31-25(29)23-7-3-5-18-4-1-2-6-21(18)23/h1-9,16,19H,10-15,17H2
InChIKey
RHFFUPBLINRING-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.12115 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12843 207.7
[M+Na]+ 480.11037 212.4
[M-H]- 456.11387 214.8
[M+NH4]+ 475.15497 215.0
[M+K]+ 496.08431 206.4
[M+H-H2O]+ 440.11841 197.1
[M+HCOO]- 502.11935 211.8
[M+CH3COO]- 516.13500 214.5
[M+Na-2H]- 478.09582 207.2
[M]+ 457.12060 210.6
[M]- 457.12170 210.6
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.