CID 499901

N-[(4-tert-butylphenyl)methyl]-2-(4,5-dihydro-1h-imidazol-2-yl)aniline

Structural Information

Molecular Formula
C20H25N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC2=CC=CC=C2C3=NCCN3
InChI
InChI=1S/C20H25N3/c1-20(2,3)16-10-8-15(9-11-16)14-23-18-7-5-4-6-17(18)19-21-12-13-22-19/h4-11,23H,12-14H2,1-3H3,(H,21,22)
InChIKey
VJXWROIKWWEJFB-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.20483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 176.2
[M+Na]+ 330.19405 181.5
[M-H]- 306.19755 181.7
[M+NH4]+ 325.23865 189.0
[M+K]+ 346.16799 175.1
[M+H-H2O]+ 290.20209 166.6
[M+HCOO]- 352.20303 194.6
[M+CH3COO]- 366.21868 205.7
[M+Na-2H]- 328.17950 179.3
[M]+ 307.20428 172.9
[M]- 307.20538 172.9
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.