CID 3035165

Benzenaminium, n-[2,5-bis[(phenylamino)methylene]cyclopentylidene]-n-phenyl-, perchlorate

Structural Information

Molecular Formula
C31H28N3
SMILES
C1/C(=C\NC2=CC=CC=C2)/C(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)/C(=C/NC5=CC=CC=C5)/C1
InChI
InChI=1S/C31H27N3/c1-5-13-27(14-6-1)32-23-25-21-22-26(24-33-28-15-7-2-8-16-28)31(25)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,23-24H,21-22H2,(H,32,33)/p+1
InChIKey
PQRRQTAWFLEQOR-UHFFFAOYSA-O
Compound name
[(2E,5E)-2,5-bis(anilinomethylidene)cyclopentylidene]-diphenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

442.22833 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.23561 212.5
[M+Na]+ 465.21755 212.8
[M-H]- 441.22105 227.1
[M+NH4]+ 460.26215 220.4
[M+K]+ 481.19149 198.4
[M+H-H2O]+ 425.22559 202.3
[M+HCOO]- 487.22653 235.6
[M+CH3COO]- 501.24218 230.2
[M+Na-2H]- 463.20300 215.0
[M]+ 442.22778 203.8
[M]- 442.22888 203.8
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