CID 11295

Malachite green cation

Structural Information

Molecular Formula
C23H25N2
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1
InChIKey
VFCNQNZNPKRXIT-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1267
References

71719
Patents

329.20178 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20906 185.0
[M+Na]+ 352.19100 188.4
[M-H]- 328.19450 196.6
[M+NH4]+ 347.23560 198.4
[M+K]+ 368.16494 178.5
[M+H-H2O]+ 312.19904 177.4
[M+HCOO]- 374.19998 208.0
[M+CH3COO]- 388.21563 214.9
[M+Na-2H]- 350.17645 188.2
[M]+ 329.20123 181.5
[M]- 329.20233 181.5
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

No patent data available for this compound.