CID 460729

Chembl20894

Structural Information

Molecular Formula
C25H21N3
SMILES
CN1C=C(C(=C1)C(C2=CC3=CC=CC=C3C=C2)N4C=CN=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H21N3/c1-27-16-23(20-8-3-2-4-9-20)24(17-27)25(28-14-13-26-18-28)22-12-11-19-7-5-6-10-21(19)15-22/h2-18,25H,1H3
InChIKey
ZSONGYITQGNZIP-UHFFFAOYSA-N
Compound name
1-[(1-methyl-4-phenylpyrrol-3-yl)-naphthalen-2-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.17355 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18083 188.4
[M+Na]+ 386.16277 197.1
[M-H]- 362.16627 199.0
[M+NH4]+ 381.20737 200.5
[M+K]+ 402.13671 189.0
[M+H-H2O]+ 346.17081 176.8
[M+HCOO]- 408.17175 209.0
[M+CH3COO]- 422.18740 198.7
[M+Na-2H]- 384.14822 189.2
[M]+ 363.17300 189.6
[M]- 363.17410 189.6
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.