CID 116746

71172-35-5

Structural Information

Molecular Formula
C20H27N
SMILES
CC(CC1=CC=C(C=C1)NC2=CC=CC=C2)CC(C)(C)C
InChI
InChI=1S/C20H27N/c1-16(15-20(2,3)4)14-17-10-12-19(13-11-17)21-18-8-6-5-7-9-18/h5-13,16,21H,14-15H2,1-4H3
InChIKey
IKRMSWSIFIESRP-UHFFFAOYSA-N
Compound name
N-phenyl-4-(2,4,4-trimethylpentyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.21436 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.221636 171.2
[M+Na]+ 304.203578 175.6
[M-H]- 280.207084 177.2
[M+NH4]+ 299.248183 186.8
[M+K]+ 320.177518 171.2
[M+H-H2O]+ 264.211620 163.4
[M+HCOO]- 326.212561 192.0
[M+CH3COO]- 340.228211 206.6
[M+Na-2H]- 302.189026 175.2
[M]+ 281.21381142 170.9
[M]- 281.21490858 170.9
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

No patent data available for this compound.