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 190.8
[M+Na]+ 395.23322 205.9
[M+NH4]+ 390.27782 197.6
[M+K]+ 411.20716 193.7
[M-H]- 371.23672 189.9
[M+Na-2H]- 393.21867 196.6
[M]+ 372.24345 192.5
[M]- 372.24455 192.5
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.