CID 155611

4,4'-methylenebis(2-ethyl-6-methylaniline)

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N)CC)C)N
InChI
InChI=1S/C19H26N2/c1-5-16-10-14(7-12(3)18(16)20)9-15-8-13(4)19(21)17(6-2)11-15/h7-8,10-11H,5-6,9,20-21H2,1-4H3
InChIKey
QJENIOQDYXRGLF-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5038
Patents

282.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 171.8
[M+Na]+ 305.19882 180.3
[M-H]- 281.20232 178.4
[M+NH4]+ 300.24342 188.0
[M+K]+ 321.17276 174.6
[M+H-H2O]+ 265.20686 164.2
[M+HCOO]- 327.20780 195.2
[M+CH3COO]- 341.22345 212.9
[M+Na-2H]- 303.18427 171.4
[M]+ 282.20905 171.7
[M]- 282.21015 171.7
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