CID 56874

Vufb-3423

Structural Information

Molecular Formula
C18H23ClN2
SMILES
CC(C1=CC=C(C=C1)Cl)N(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H23ClN2/c1-15(16-9-11-17(19)12-10-16)21(14-13-20(2)3)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3
InChIKey
MYLIVASIVZAJMB-UHFFFAOYSA-N
Compound name
N'-[1-(4-chlorophenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15497 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16225 174.1
[M+Na]+ 325.14419 179.0
[M-H]- 301.14769 182.5
[M+NH4]+ 320.18879 190.3
[M+K]+ 341.11813 175.3
[M+H-H2O]+ 285.15223 165.8
[M+HCOO]- 347.15317 194.5
[M+CH3COO]- 361.16882 216.3
[M+Na-2H]- 323.12964 176.6
[M]+ 302.15442 177.8
[M]- 302.15552 177.8
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.