CID 3086040

3,3'-diethyl-5,5'-diisopropyl-4,4'-methylenedianiline

Structural Information

Molecular Formula
C23H34N2
SMILES
CCC1=C(C(=CC(=C1)N)C(C)C)CC2=C(C=C(C=C2C(C)C)N)CC
InChI
InChI=1S/C23H34N2/c1-7-16-9-18(24)11-20(14(3)4)22(16)13-23-17(8-2)10-19(25)12-21(23)15(5)6/h9-12,14-15H,7-8,13,24-25H2,1-6H3
InChIKey
DDTOOQIKICNNHB-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-ethyl-6-propan-2-ylphenyl)methyl]-3-ethyl-5-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2722 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.27948 190.2
[M+Na]+ 361.26142 196.2
[M-H]- 337.26492 196.1
[M+NH4]+ 356.30602 203.8
[M+K]+ 377.23536 190.9
[M+H-H2O]+ 321.26946 182.1
[M+HCOO]- 383.27040 210.1
[M+CH3COO]- 397.28605 226.7
[M+Na-2H]- 359.24687 185.2
[M]+ 338.27165 190.2
[M]- 338.27275 190.2
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.