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
2
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]+ 524.33118 234.5
[M+Na]+ 546.31312 236.4
[M-H]- 522.31662 247.5
[M+NH4]+ 541.35772 238.1
[M+K]+ 562.28706 228.1
[M+H-H2O]+ 506.32116 221.0
[M+HCOO]- 568.32210 249.0
[M+CH3COO]- 582.33775 252.6
[M+Na-2H]- 544.29857 237.1
[M]+ 523.32335 231.9
[M]- 523.32445 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