CID 117942

N-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline

Structural Information

Molecular Formula
C20H27N
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C20H27N/c1-19(2,3)15-20(4,5)16-11-13-18(14-12-16)21-17-9-7-6-8-10-17/h6-14,21H,15H2,1-5H3
InChIKey
OSFOTMWFXQGWKZ-UHFFFAOYSA-N
Compound name
N-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1264
Patents

281.21436 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.22164 173.1
[M+Na]+ 304.20358 186.3
[M+NH4]+ 299.24818 181.9
[M+K]+ 320.17752 178.2
[M-H]- 280.20708 178.1
[M+Na-2H]- 302.18903 182.6
[M]+ 281.21381 176.8
[M]- 281.21491 176.8
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