CID 484455

Chembl516275

Structural Information

Molecular Formula
C27H29N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C27H29N3/c1-27(2,3)26-15-11-23(12-16-26)20-30(29-18-17-28-21-29)19-22-9-13-25(14-10-22)24-7-5-4-6-8-24/h4-18,21H,19-20H2,1-3H3
InChIKey
XHASGJJDXWMYGT-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-[(4-phenylphenyl)methyl]imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

395.23615 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.24343 200.3
[M+Na]+ 418.22537 205.1
[M-H]- 394.22887 211.1
[M+NH4]+ 413.26997 209.9
[M+K]+ 434.19931 198.4
[M+H-H2O]+ 378.23341 188.0
[M+HCOO]- 440.23435 220.5
[M+CH3COO]- 454.25000 209.1
[M+Na-2H]- 416.21082 202.5
[M]+ 395.23560 200.8
[M]- 395.23670 200.8
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.