CID 103315

(1,1'-biphenyl)-4,4'-diamine, n,n'-bis(3-methylphenyl)-n,n'-diphenyl-

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
3
Annotation Hits

13
References

43806
Patents

516.25653 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.263806 233.5
[M+Na]+ 539.245748 235.7
[M-H]- 515.249254 251.3
[M+NH4]+ 534.290353 237.1
[M+K]+ 555.219688 227.9
[M+H-H2O]+ 499.253790 217.3
[M+HCOO]- 561.254731 255.2
[M+CH3COO]- 575.270381 239.6
[M+Na-2H]- 537.231196 234.0
[M]+ 516.25598142 230.8
[M]- 516.25707858 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

literature stripe

Patent stripe

patents stripe