CID 103887

54268-69-8

Structural Information

Molecular Formula
C31H36N3
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)C)C
InChI
InChI=1S/C31H36N3/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/h8-22H,1-7H3/q+1
InChIKey
MJFQCOGUURHDQS-UHFFFAOYSA-N
Compound name
4-[1-[4-(dimethylamino)phenyl]-4-(1,3,3-trimethylindol-1-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.29092 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.29820 215.6
[M+Na]+ 473.28014 232.1
[M+NH4]+ 468.32474 226.0
[M+K]+ 489.25408 222.3
[M-H]- 449.28364 225.7
[M+Na-2H]- 471.26559 226.7
[M]+ 450.29037 221.6
[M]- 450.29147 221.6
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

No patent data available for this compound.