CID 3021120

86579-43-3

Structural Information

Molecular Formula
C34H32N2
SMILES
CC(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)NC4=CC=C(C=C4)C(C)C5=CC=CC=C5
InChI
InChI=1S/C34H32N2/c1-25(27-9-5-3-6-10-27)29-13-17-31(18-14-29)35-33-21-23-34(24-22-33)36-32-19-15-30(16-20-32)26(2)28-11-7-4-8-12-28/h3-26,35-36H,1-2H3
InChIKey
RKMNUEMCLJPQJD-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-(1-phenylethyl)phenyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

468.25656 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.263836 218.4
[M+Na]+ 491.245778 219.9
[M-H]- 467.249284 231.6
[M+NH4]+ 486.290383 223.5
[M+K]+ 507.219718 211.4
[M+H-H2O]+ 451.253820 204.9
[M+HCOO]- 513.254761 238.6
[M+CH3COO]- 527.270411 224.5
[M+Na-2H]- 489.231226 219.4
[M]+ 468.25601142 214.1
[M]- 468.25710858 214.1
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