CID 106446

Dtxsid30886778

Structural Information

Molecular Formula
C31H25N3
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)N
InChI
InChI=1S/C31H25N3/c32-26-17-11-23(12-18-26)31(24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28/h1-22,33H,32H2
InChIKey
LEDXGKGMLASFRE-UHFFFAOYSA-N
Compound name
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.20483 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.21211 208.5
[M+Na]+ 462.19405 211.3
[M-H]- 438.19755 222.9
[M+NH4]+ 457.23865 215.1
[M+K]+ 478.16799 202.3
[M+H-H2O]+ 422.20209 195.2
[M+HCOO]- 484.20303 231.8
[M+CH3COO]- 498.21868 215.8
[M+Na-2H]- 460.17950 211.4
[M]+ 439.20428 201.5
[M]- 439.20538 201.5
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.