CID 110605

68582-45-6

Structural Information

Molecular Formula
C33H47N3
SMILES
CCN(CC)C1=CC=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C
InChI
InChI=1S/C33H47N3/c1-9-34(10-2)28-17-15-27(16-18-28)33(31-21-19-29(23-25(31)7)35(11-3)12-4)32-22-20-30(24-26(32)8)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3
InChIKey
JDEVVVLLEIZNAL-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
Patents

485.37698 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.38426 233.1
[M+Na]+ 508.36620 246.1
[M+NH4]+ 503.41080 240.6
[M+K]+ 524.34014 235.8
[M-H]- 484.36970 243.0
[M+Na-2H]- 506.35165 241.9
[M]+ 485.37643 238.0
[M]- 485.37753 238.0
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