CID 103889

Einecs 259-056-1

Structural Information

Molecular Formula
C31H37N3
SMILES
CC1(C(N(C2=CC=CC=C21)C)C=CC=C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)C
InChI
InChI=1S/C31H37N3/c1-31(2)28-12-8-9-13-29(28)34(7)30(31)14-10-11-27(23-15-19-25(20-16-23)32(3)4)24-17-21-26(22-18-24)33(5)6/h8-22,30H,1-7H3
InChIKey
AVBBJFZWWYSGND-UHFFFAOYSA-N
Compound name
4-[1-[4-(dimethylamino)phenyl]-4-(1,3,3-trimethyl-2H-indol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.29874 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.30602 217.7
[M+Na]+ 474.28796 231.3
[M+NH4]+ 469.33256 226.9
[M+K]+ 490.26190 221.2
[M-H]- 450.29146 225.9
[M+Na-2H]- 472.27341 226.9
[M]+ 451.29819 222.3
[M]- 451.29929 222.3
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