CID 16205303

73718-63-5

Structural Information

Molecular Formula
C20H23ClN3
SMILES
CC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=N/NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3/c1-4-24-18-8-6-5-7-17(18)20(2,3)19(24)14-23-22-13-15-9-11-16(21)12-10-15/h5-12,14H,4,13H2,1-3H3/p+1
InChIKey
YPTBAGUNTQSHCK-UHFFFAOYSA-O
Compound name
1-(4-chlorophenyl)-N-[(E)-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15805 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16533 179.7
[M+Na]+ 363.14727 196.7
[M+NH4]+ 358.19187 191.4
[M+K]+ 379.12121 186.7
[M-H]- 339.15077 187.6
[M+Na-2H]- 361.13272 190.4
[M]+ 340.15750 185.3
[M]- 340.15860 185.3
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.