CID 73557202

121525-83-5

Structural Information

Molecular Formula
C39H34N6
SMILES
C1=CC(=NCN=C2C=CC(=C(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C2)C=CC1=C(C5=CC=C(C=C5)N)C6=CC=C(C=C6)N
InChI
InChI=1S/C39H34N6/c40-32-13-1-26(2-14-32)38(27-3-15-33(41)16-4-27)30-9-21-36(22-10-30)44-25-45-37-23-11-31(12-24-37)39(28-5-17-34(42)18-6-28)29-7-19-35(43)20-8-29/h1-24H,25,40-43H2
InChIKey
SKOUOIWJYUVYQL-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-[4-[[[4-[bis(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino]methylimino]cyclohexa-2,5-dien-1-ylidene]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

586.2845 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.29178 242.6
[M+Na]+ 609.27372 242.9
[M-H]- 585.27722 258.6
[M+NH4]+ 604.31832 242.2
[M+K]+ 625.24766 233.8
[M+H-H2O]+ 569.28176 227.5
[M+HCOO]- 631.28270 264.2
[M+CH3COO]- 645.29835 246.0
[M+Na-2H]- 607.25917 240.4
[M]+ 586.28395 231.4
[M]- 586.28505 231.4
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.