CID 3021116

86579-35-3

Structural Information

Molecular Formula
C26H32N2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C26H32N2/c1-25(2,3)19-26(4,5)20-11-13-22(14-12-20)28-24-17-15-23(16-18-24)27-21-9-7-6-8-10-21/h6-18,27-28H,19H2,1-5H3
InChIKey
FANJOUDFTDBLDM-UHFFFAOYSA-N
Compound name
1-N-phenyl-4-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.25656 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.263836 194.6
[M+Na]+ 395.245778 198.3
[M-H]- 371.249284 203.4
[M+NH4]+ 390.290383 205.9
[M+K]+ 411.219718 192.2
[M+H-H2O]+ 355.253820 185.0
[M+HCOO]- 417.254761 214.9
[M+CH3COO]- 431.270411 226.1
[M+Na-2H]- 393.231226 199.8
[M]+ 372.25601142 193.5
[M]- 372.25710858 193.5
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.