CID 492641

Chembl478647

Structural Information

Molecular Formula
C25H27N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC3=CC=CC=C32)N4C=CN=C4
InChI
InChI=1S/C25H27N3/c1-25(2,3)23-13-11-20(12-14-23)17-28(27-16-15-26-19-27)18-22-9-6-8-21-7-4-5-10-24(21)22/h4-16,19H,17-18H2,1-3H3
InChIKey
SFAZLOXGYONEBN-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-(naphthalen-1-ylmethyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.2205 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22778 193.8
[M+Na]+ 392.20972 200.6
[M-H]- 368.21322 203.0
[M+NH4]+ 387.25432 206.0
[M+K]+ 408.18366 194.1
[M+H-H2O]+ 352.21776 182.6
[M+HCOO]- 414.21870 214.6
[M+CH3COO]- 428.23435 203.7
[M+Na-2H]- 390.19517 198.5
[M]+ 369.21995 196.4
[M]- 369.22105 196.4
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.