CID 18769037

N-methyl-6-(1-trityl-1h-imidazole-4-carbonyl)-2-naphthamide

Structural Information

Molecular Formula
C35H27N3O2
SMILES
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H27N3O2/c1-36-34(40)28-20-18-25-21-27(19-17-26(25)22-28)33(39)32-23-38(24-37-32)35(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3,(H,36,40)
InChIKey
BXIZVEYIKFJEEF-UHFFFAOYSA-N
Compound name
N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

521.2103 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.21758 230.2
[M+Na]+ 544.19952 248.3
[M+NH4]+ 539.24412 237.2
[M+K]+ 560.17346 239.3
[M-H]- 520.20302 240.7
[M+Na-2H]- 542.18497 244.6
[M]+ 521.20975 236.2
[M]- 521.21085 236.2
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

patents stripe