CID 11979721

Methanaminium, n-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-n-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappao:kappao:kappao:kappao':kappao':kappao':kappao'':kappao'':kappao'':kappao''':kappao''':kappao'''))dodecatungstate(3-) (3:1)

Structural Information

Molecular Formula
C23H25N2
SMILES
CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C=CC(=[N+](C)C)C=C3
InChI
InChI=1S/C23H25N2/c1-24(2)22-13-7-19(8-14-22)17-18-5-9-20(10-6-18)21-11-15-23(16-12-21)25(3)4/h5-17H,1-4H3/q+1
InChIKey
SZBHSAAWCRIBBT-UHFFFAOYSA-N
Compound name
[4-[[4-[4-(dimethylamino)phenyl]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.20178 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20906 185.2
[M+Na]+ 352.19100 189.8
[M-H]- 328.19450 197.0
[M+NH4]+ 347.23560 199.0
[M+K]+ 368.16494 179.4
[M+H-H2O]+ 312.19904 177.5
[M+HCOO]- 374.19998 209.2
[M+CH3COO]- 388.21563 215.2
[M+Na-2H]- 350.17645 188.8
[M]+ 329.20123 182.7
[M]- 329.20233 182.7
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