CID 499903

N-[(4-tert-butylphenyl)methyl]-4-morpholino-aniline

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C21H28N2O/c1-21(2,3)18-6-4-17(5-7-18)16-22-19-8-10-20(11-9-19)23-12-14-24-15-13-23/h4-11,22H,12-16H2,1-3H3
InChIKey
PDRLBYAXBWFMBP-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-4-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 181.6
[M+Na]+ 347.20937 185.0
[M-H]- 323.21287 189.3
[M+NH4]+ 342.25397 192.2
[M+K]+ 363.18331 181.2
[M+H-H2O]+ 307.21741 171.5
[M+HCOO]- 369.21835 198.0
[M+CH3COO]- 383.23400 211.6
[M+Na-2H]- 345.19482 185.8
[M]+ 324.21960 178.2
[M]- 324.22070 178.2
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

No patent data available for this compound.