CID 209660

P-toluidine, 5-chloro-3-(p-chlorophenyl)-n-(2-(diethylamino)ethyl)-, oxalate

Structural Information

Molecular Formula
C19H24Cl2N2
SMILES
CCN(CC)CCNC1=CC(=C(C(=C1)Cl)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H24Cl2N2/c1-4-23(5-2)11-10-22-17-12-18(14(3)19(21)13-17)15-6-8-16(20)9-7-15/h6-9,12-13,22H,4-5,10-11H2,1-3H3
InChIKey
SUORSNPBRBIOET-UHFFFAOYSA-N
Compound name
N-[3-chloro-5-(4-chlorophenyl)-4-methylphenyl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13165 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13893 185.3
[M+Na]+ 373.12087 193.1
[M-H]- 349.12437 192.2
[M+NH4]+ 368.16547 200.5
[M+K]+ 389.09481 186.2
[M+H-H2O]+ 333.12891 178.2
[M+HCOO]- 395.12985 200.7
[M+CH3COO]- 409.14550 222.4
[M+Na-2H]- 371.10632 186.1
[M]+ 350.13110 191.1
[M]- 350.13220 191.1
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.