CID 3085677

Benzenamine, 4-(1-methyl-1-phenylethyl)-n-phenyl-

Structural Information

Molecular Formula
C21H21N
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-21(2,17-9-5-3-6-10-17)18-13-15-20(16-14-18)22-19-11-7-4-8-12-19/h3-16,22H,1-2H3
InChIKey
NWCCPBWXLZTMCX-UHFFFAOYSA-N
Compound name
N-phenyl-4-(2-phenylpropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

287.1674 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.1
[M+Na]+ 310.15662 174.6
[M-H]- 286.16012 178.3
[M+NH4]+ 305.20122 183.8
[M+K]+ 326.13056 168.7
[M+H-H2O]+ 270.16466 160.2
[M+HCOO]- 332.16560 191.8
[M+CH3COO]- 346.18125 180.2
[M+Na-2H]- 308.14207 176.3
[M]+ 287.16685 167.1
[M]- 287.16795 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe