CID 107405

Setoglaucine

Structural Information

Molecular Formula
C23H24ClN2
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H24ClN2/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4/h5-16H,1-4H3/q+1
InChIKey
PYALRJHHXIQCEI-UHFFFAOYSA-N
Compound name
[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5239
Patents

363.1628 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17008 188.9
[M+Na]+ 386.15202 206.6
[M+NH4]+ 381.19662 199.4
[M+K]+ 402.12596 197.0
[M-H]- 362.15552 199.7
[M+Na-2H]- 384.13747 201.1
[M]+ 363.16225 195.4
[M]- 363.16335 195.4
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