CID 103870

54060-94-5

Structural Information

Molecular Formula
C24H28N3
SMILES
CCN(CCC#N)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C
InChI
InChI=1S/C24H28N3/c1-5-27(18-8-17-25)20-14-11-19(12-15-20)13-16-23-24(2,3)21-9-6-7-10-22(21)26(23)4/h6-7,9-16H,5,8,18H2,1-4H3/q+1
InChIKey
APHXZXARBRIDCF-UHFFFAOYSA-N
Compound name
3-[N-ethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

358.22833 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23561 197.6
[M+Na]+ 381.21755 207.8
[M-H]- 357.22105 203.3
[M+NH4]+ 376.26215 212.3
[M+K]+ 397.19149 193.4
[M+H-H2O]+ 341.22559 184.3
[M+HCOO]- 403.22653 215.2
[M+CH3COO]- 417.24218 225.5
[M+Na-2H]- 379.20300 199.6
[M]+ 358.22778 194.5
[M]- 358.22888 194.5
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

patents stripe