CID 39252

42740-32-9

Structural Information

Molecular Formula
C26H28Cl2N2O3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C26H28Cl2N2O3/c1-3-30(4-2)16-17-32-22-13-10-19(11-14-22)25(23-15-12-20(27)18-24(23)28)33-26(31)29-21-8-6-5-7-9-21/h5-15,18,25H,3-4,16-17H2,1-2H3,(H,29,31)
InChIKey
PLWMBFIIBJFTTD-UHFFFAOYSA-N
Compound name
[(2,4-dichlorophenyl)-[4-[2-(diethylamino)ethoxy]phenyl]methyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1477 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.15498 217.1
[M+Na]+ 509.13692 221.5
[M-H]- 485.14042 226.3
[M+NH4]+ 504.18152 225.5
[M+K]+ 525.11086 215.6
[M+H-H2O]+ 469.14496 207.3
[M+HCOO]- 531.14590 230.4
[M+CH3COO]- 545.16155 242.8
[M+Na-2H]- 507.12237 215.8
[M]+ 486.14715 225.0
[M]- 486.14825 225.0
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.