CID 49954

Brn 2778953

Structural Information

Molecular Formula
C19H22Cl2N2O2
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1Cl)OCC2=CC=CC=C2)Cl
InChI
InChI=1S/C19H22Cl2N2O2/c1-3-23(4-2)12-18(24)22-19-16(20)10-15(11-17(19)21)25-13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKey
PPCMGPXAFLHJTG-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-4-phenylmethoxyphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.10583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11311 189.5
[M+Na]+ 403.09505 196.3
[M-H]- 379.09855 196.5
[M+NH4]+ 398.13965 203.0
[M+K]+ 419.06899 190.6
[M+H-H2O]+ 363.10309 182.2
[M+HCOO]- 425.10403 204.8
[M+CH3COO]- 439.11968 224.7
[M+Na-2H]- 401.08050 190.2
[M]+ 380.10528 196.6
[M]- 380.10638 196.6
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

patents stripe