CID 4081779

124591-08-8

Structural Information

Molecular Formula
C34H32N2
SMILES
CC1=CC(=CC=C1)N(C2=CC(=CC=C2)N(C3=CC=CC(=C3)C)C4=CC=CC(=C4)C)C5=CC=CC(=C5)C
InChI
InChI=1S/C34H32N2/c1-25-10-5-14-29(20-25)35(30-15-6-11-26(2)21-30)33-18-9-19-34(24-33)36(31-16-7-12-27(3)22-31)32-17-8-13-28(4)23-32/h5-24H,1-4H3
InChIKey
SBFJWYYUVYESMJ-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

689
Patents

468.25656 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.263836 222.4
[M+Na]+ 491.245778 226.5
[M-H]- 467.249284 239.0
[M+NH4]+ 486.290383 229.5
[M+K]+ 507.219718 219.7
[M+H-H2O]+ 451.253820 208.0
[M+HCOO]- 513.254761 245.4
[M+CH3COO]- 527.270411 230.4
[M+Na-2H]- 489.231226 222.2
[M]+ 468.25601142 222.3
[M]- 468.25710858 222.3
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