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 192.8
[M+Na]+ 386.15202 197.7
[M-H]- 362.15552 204.2
[M+NH4]+ 381.19662 206.0
[M+K]+ 402.12596 186.3
[M+H-H2O]+ 346.16006 185.9
[M+HCOO]- 408.16100 211.2
[M+CH3COO]- 422.17665 219.5
[M+Na-2H]- 384.13747 194.6
[M]+ 363.16225 192.3
[M]- 363.16335 192.3
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

patents stripe