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 218.2
[M+Na]+ 474.28796 223.1
[M-H]- 450.29146 229.4
[M+NH4]+ 469.33256 231.1
[M+K]+ 490.26190 216.8
[M+H-H2O]+ 434.29600 207.0
[M+HCOO]- 496.29694 238.0
[M+CH3COO]- 510.31259 248.3
[M+Na-2H]- 472.27341 214.6
[M]+ 451.29819 220.0
[M]- 451.29929 220.0
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