CID 103315

Dtxsid6070275

Structural Information

Molecular Formula
C38H32N2
SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C
InChI
InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3
InChIKey
OGGKVJMNFFSDEV-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

43363
Patents

516.25653 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.26381 233.5
[M+Na]+ 539.24575 235.7
[M-H]- 515.24925 251.3
[M+NH4]+ 534.29035 237.1
[M+K]+ 555.21969 227.9
[M+H-H2O]+ 499.25379 217.3
[M+HCOO]- 561.25473 255.2
[M+CH3COO]- 575.27038 239.6
[M+Na-2H]- 537.23120 234.0
[M]+ 516.25598 230.8
[M]- 516.25708 230.8
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

No patent data available for this compound.