CID 456989

[(4-pyrrolylphenyl)naphthylmethyl]imidazole nitrate

Structural Information

Molecular Formula
C24H19N3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(C3=CC=C(C=C3)N4C=CC=C4)N5C=CN=C5
InChI
InChI=1S/C24H19N3/c1-2-8-22-19(6-1)7-5-9-23(22)24(27-17-14-25-18-27)20-10-12-21(13-11-20)26-15-3-4-16-26/h1-18,24H
InChIKey
JDUHMWMLJHRPSD-UHFFFAOYSA-N
Compound name
1-[naphthalen-1-yl-(4-pyrrol-1-ylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1579 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16518 183.1
[M+Na]+ 372.14712 191.4
[M-H]- 348.15062 193.5
[M+NH4]+ 367.19172 195.5
[M+K]+ 388.12106 183.6
[M+H-H2O]+ 332.15516 171.5
[M+HCOO]- 394.15610 204.1
[M+CH3COO]- 408.17175 193.6
[M+Na-2H]- 370.13257 185.3
[M]+ 349.15735 183.6
[M]- 349.15845 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.