CID 6441854

Einecs 276-470-8

Structural Information

Molecular Formula
C25H30N3
SMILES
CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C
InChI
InChI=1S/C25H30N3/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5/h7-8,10-15,18H,6,9,17H2,1-5H3/q+1
InChIKey
ZFWWVXCMCNTJFZ-UHFFFAOYSA-N
Compound name
3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.244 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25128 201.0
[M+Na]+ 395.23322 211.5
[M-H]- 371.23672 207.0
[M+NH4]+ 390.27782 215.5
[M+K]+ 411.20716 197.2
[M+H-H2O]+ 355.24126 187.9
[M+HCOO]- 417.24220 218.3
[M+CH3COO]- 431.25785 229.2
[M+Na-2H]- 393.21867 202.0
[M]+ 372.24345 198.6
[M]- 372.24455 198.6
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.