CID 106510

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

Structural Information

Molecular Formula
C23H27N2
SMILES
CN(C)C1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27N2/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/h5-17,19,23H,1-4H3/q+1
InChIKey
CONYMKMJWRFOMY-UHFFFAOYSA-N
Compound name
[4-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

331.21744 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22472 185.9
[M+Na]+ 354.20666 188.8
[M-H]- 330.21016 197.3
[M+NH4]+ 349.25126 199.2
[M+K]+ 370.18060 179.6
[M+H-H2O]+ 314.21470 178.2
[M+HCOO]- 376.21564 208.7
[M+CH3COO]- 390.23129 216.5
[M+Na-2H]- 352.19211 189.0
[M]+ 331.21689 183.1
[M]- 331.21799 183.1
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