CID 87109

17419-19-1

Structural Information

Molecular Formula
C39H41N
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5
InChI
InChI=1S/C39H41N/c1-37(2,29-16-10-7-11-17-29)32-22-25-34(26-23-32)40-36-27-24-33(38(3,4)30-18-12-8-13-19-30)28-35(36)39(5,6)31-20-14-9-15-21-31/h7-28,40H,1-6H3
InChIKey
CNNKURHFWJWJER-UHFFFAOYSA-N
Compound name
2,4-bis(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

523.3239 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.331176 234.5
[M+Na]+ 546.313118 236.4
[M-H]- 522.316624 247.5
[M+NH4]+ 541.357723 238.1
[M+K]+ 562.287058 228.1
[M+H-H2O]+ 506.321160 221.0
[M+HCOO]- 568.322101 249.0
[M+CH3COO]- 582.337751 252.6
[M+Na-2H]- 544.298566 237.1
[M]+ 523.32335142 231.9
[M]- 523.32444858 231.9
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