CID 176143

Dtxsid4073047

Structural Information

Molecular Formula
C36H40N2
SMILES
CCN(CC)C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)N(CC)CC
InChI
InChI=1S/C36H40N2/c1-5-37(6-2)33-23-19-31(20-24-33)36(32-21-25-34(26-22-32)38(7-3)8-4)28-27-35(29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-28H,5-8H2,1-4H3
InChIKey
MNEPURVJQJNPQW-UHFFFAOYSA-N
Compound name
4-[1-[4-(diethylamino)phenyl]-4,4-diphenylbuta-1,3-dienyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

655
Patents

500.31915 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.32643 233.3
[M+Na]+ 523.30837 232.7
[M-H]- 499.31187 245.4
[M+NH4]+ 518.35297 238.8
[M+K]+ 539.28231 225.6
[M+H-H2O]+ 483.31641 219.5
[M+HCOO]- 545.31735 253.3
[M+CH3COO]- 559.33300 255.7
[M+Na-2H]- 521.29382 229.8
[M]+ 500.31860 232.9
[M]- 500.31970 232.9
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