CID 3021117

86579-36-4

Structural Information

Molecular Formula
C23H26N2
SMILES
CCC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C23H26N2/c1-4-23(2,3)18-10-12-20(13-11-18)25-22-16-14-21(15-17-22)24-19-8-6-5-7-9-19/h5-17,24-25H,4H2,1-3H3
InChIKey
RYHCBSRDOLORRF-UHFFFAOYSA-N
Compound name
4-N-[4-(2-methylbutan-2-yl)phenyl]-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 181.6
[M+Na]+ 353.198818 186.1
[M-H]- 329.202324 190.6
[M+NH4]+ 348.243423 194.4
[M+K]+ 369.172758 179.9
[M+H-H2O]+ 313.206860 172.0
[M+HCOO]- 375.207801 204.5
[M+CH3COO]- 389.223451 217.4
[M+Na-2H]- 351.184266 187.4
[M]+ 330.20905142 180.0
[M]- 330.21014858 180.0
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.