CID 86261

4,4'-methylenebis(3-chloro-2,6-diethylaniline)

Structural Information

Molecular Formula
C21H28Cl2N2
SMILES
CCC1=CC(=C(C(=C1N)CC)Cl)CC2=C(C(=C(C(=C2)CC)N)CC)Cl
InChI
InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3
InChIKey
VIOMIGLBMQVNLY-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-chloro-3,5-diethylphenyl)methyl]-3-chloro-2,6-diethylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6952
Patents

378.16296 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17024 196.1
[M+Na]+ 401.15218 206.4
[M-H]- 377.15568 201.6
[M+NH4]+ 396.19678 210.1
[M+K]+ 417.12612 197.5
[M+H-H2O]+ 361.16022 190.0
[M+HCOO]- 423.16116 209.0
[M+CH3COO]- 437.17681 228.8
[M+Na-2H]- 399.13763 191.5
[M]+ 378.16241 200.8
[M]- 378.16351 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe