CID 11979719

Ethanaminium, n-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-n-ethyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappao:kappao:kappao:kappao':kappao':kappao':kappao'':kappao'':kappao'':kappao''':kappao''':kappao'''))dodecamolybdate(3-) (3:1)

Structural Information

Molecular Formula
C33H42N3
SMILES
CCNC1=CC=C(C2=CC=CC=C21)C(C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC
InChI
InChI=1S/C33H42N3/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-25,33-34H,6-10H2,1-5H3/q+1
InChIKey
OEUUCTLPBFUKTG-UHFFFAOYSA-N
Compound name
[4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methyl]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

480.33786 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.34514 229.8
[M+Na]+ 503.32708 230.0
[M-H]- 479.33058 240.5
[M+NH4]+ 498.37168 237.5
[M+K]+ 519.30102 218.5
[M+H-H2O]+ 463.33512 219.6
[M+HCOO]- 525.33606 249.3
[M+CH3COO]- 539.35171 250.3
[M+Na-2H]- 501.31253 229.8
[M]+ 480.33731 228.8
[M]- 480.33841 228.8
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