CID 3024845

97375-16-1

Structural Information

Molecular Formula
C21H21N
SMILES
CC(CC1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-17(16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)22-20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3
InChIKey
KCCZEHRZIJVJCU-UHFFFAOYSA-N
Compound name
N-phenyl-4-(1-phenylpropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1674 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.174676 169.4
[M+Na]+ 310.156618 174.0
[M-H]- 286.160124 178.2
[M+NH4]+ 305.201223 183.8
[M+K]+ 326.130558 168.1
[M+H-H2O]+ 270.164660 160.0
[M+HCOO]- 332.165601 192.6
[M+CH3COO]- 346.181251 180.1
[M+Na-2H]- 308.142066 174.6
[M]+ 287.16685142 167.1
[M]- 287.16794858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.