CID 161708

31354-66-2

Structural Information

Molecular Formula
C24H24N3
SMILES
CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=CC=CC4=C3C2=CC=C4)CCC#N
InChI
InChI=1S/C24H24N3/c1-3-26(4-2)20-14-12-19(13-15-20)24-21-10-5-8-18-9-6-11-22(23(18)21)27(24)17-7-16-25/h5-6,8-15H,3-4,7,17H2,1-2H3/q+1
InChIKey
SRXOBNWSHZEBCY-UHFFFAOYSA-N
Compound name
3-[2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.19702 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20430 190.1
[M+Na]+ 377.18624 206.4
[M+NH4]+ 372.23084 196.9
[M+K]+ 393.16018 195.0
[M-H]- 353.18974 189.9
[M+Na-2H]- 375.17169 195.2
[M]+ 354.19647 192.2
[M]- 354.19757 192.2
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.