CID 32156

N-(alpha-(p-chlorophenyl)benzyl)-n'-(2,6-xylyl)ethylenediamine maleate

Structural Information

Molecular Formula
C23H25ClN2
SMILES
CC1=C(C(=CC=C1)C)NCCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H25ClN2/c1-17-7-6-8-18(2)22(17)25-15-16-26-23(19-9-4-3-5-10-19)20-11-13-21(24)14-12-20/h3-14,23,25-26H,15-16H2,1-2H3
InChIKey
BWGTVWZGVIUEGB-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-(2,6-dimethylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17062 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17790 190.2
[M+Na]+ 387.15984 195.7
[M-H]- 363.16334 198.9
[M+NH4]+ 382.20444 202.6
[M+K]+ 403.13378 187.8
[M+H-H2O]+ 347.16788 180.8
[M+HCOO]- 409.16882 209.2
[M+CH3COO]- 423.18447 199.7
[M+Na-2H]- 385.14529 192.7
[M]+ 364.17007 191.4
[M]- 364.17117 191.4
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.