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]+ 282.22164 171.2
[M+Na]+ 304.20358 175.6
[M-H]- 280.20708 177.2
[M+NH4]+ 299.24818 186.8
[M+K]+ 320.17752 171.2
[M+H-H2O]+ 264.21162 163.4
[M+HCOO]- 326.21256 192.0
[M+CH3COO]- 340.22821 206.6
[M+Na-2H]- 302.18903 175.2
[M]+ 281.21381 170.9
[M]- 281.21491 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.