CID 3088906

119585-15-8

Structural Information

Molecular Formula
C27H27Cl2NO3
SMILES
C1COCCN1CCC(COC(=O)C2=CC=CC=C2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H27Cl2NO3/c28-22-10-11-24(26(29)18-22)21(12-13-30-14-16-32-17-15-30)19-33-27(31)25-9-5-4-8-23(25)20-6-2-1-3-7-20/h1-11,18,21H,12-17,19H2
InChIKey
VSRGICJQOQUKPB-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] 2-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1368 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.14408 215.9
[M+Na]+ 506.12602 219.6
[M-H]- 482.12952 224.9
[M+NH4]+ 501.17062 220.7
[M+K]+ 522.09996 213.2
[M+H-H2O]+ 466.13406 204.0
[M+HCOO]- 528.13500 220.7
[M+CH3COO]- 542.15065 221.9
[M+Na-2H]- 504.11147 213.5
[M]+ 483.13625 218.1
[M]- 483.13735 218.1
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

No patent data available for this compound.