CID 11304939

70895-80-6

Structural Information

Molecular Formula
C30H40N2
SMILES
CCN(CC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)N(CC)CC)C)C
InChI
InChI=1S/C30H40N2/c1-8-31(9-2)26-16-18-28(23(6)20-26)30(25-14-12-22(5)13-15-25)29-19-17-27(21-24(29)7)32(10-3)11-4/h12-21,30H,8-11H2,1-7H3
InChIKey
KBXXZTIBAVBLPP-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-methylphenyl]-(4-methylphenyl)methyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2751
Patents

428.31915 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.326426 214.6
[M+Na]+ 451.308368 218.2
[M-H]- 427.311874 225.9
[M+NH4]+ 446.352973 225.2
[M+K]+ 467.282308 213.5
[M+H-H2O]+ 411.316410 203.2
[M+HCOO]- 473.317351 236.5
[M+CH3COO]- 487.333001 248.4
[M+Na-2H]- 449.293816 210.8
[M]+ 428.31860142 218.8
[M]- 428.31969858 218.8
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