CID 103278

Einecs 265-539-8

Structural Information

Molecular Formula
C23H24Cl2N2
SMILES
CC1=CC(=CC(=C1N)C)C(C2=CC(=C(C(=C2)C)N)C)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C23H24Cl2N2/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17/h5-11,20H,26-27H2,1-4H3
InChIKey
KCPYHDABININKD-UHFFFAOYSA-N
Compound name
4-[(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methyl]-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

398.13165 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13893 199.5
[M+Na]+ 421.12087 210.0
[M-H]- 397.12437 208.4
[M+NH4]+ 416.16547 212.1
[M+K]+ 437.09481 201.1
[M+H-H2O]+ 381.12891 192.2
[M+HCOO]- 443.12985 212.1
[M+CH3COO]- 457.14550 231.4
[M+Na-2H]- 419.10632 195.4
[M]+ 398.13110 202.5
[M]- 398.13220 202.5
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