CID 3088886

Sr 44194 a

Structural Information

Molecular Formula
C24H20Cl2N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CCN3C=CN=C3)COC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O2/c25-19-8-9-22(23(26)14-19)24(29)30-15-18(10-12-28-13-11-27-16-28)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,11,13-14,16,18H,10,12,15H2
InChIKey
KIALPPOTRKVGRP-UHFFFAOYSA-N
Compound name
(4-imidazol-1-yl-2-naphthalen-1-ylbutyl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09018 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09746 202.8
[M+Na]+ 461.07940 211.7
[M-H]- 437.08290 209.9
[M+NH4]+ 456.12400 213.1
[M+K]+ 477.05334 203.3
[M+H-H2O]+ 421.08744 192.1
[M+HCOO]- 483.08838 212.9
[M+CH3COO]- 497.10403 211.6
[M+Na-2H]- 459.06485 203.1
[M]+ 438.08963 210.1
[M]- 438.09073 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

No patent data available for this compound.