CID 57465805

566200-96-2

Structural Information

Molecular Formula
C35H29N3O2
SMILES
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C35H29N3O2/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/h2-24,33,39H,1H3,(H,36,40)
InChIKey
OYOPLDKKDPMONE-UHFFFAOYSA-N
Compound name
6-[hydroxy-(1-tritylimidazol-4-yl)methyl]-N-methylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

523.22595 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.23323 231.9
[M+Na]+ 546.21517 249.4
[M+NH4]+ 541.25977 238.8
[M+K]+ 562.18911 240.8
[M-H]- 522.21867 242.2
[M+Na-2H]- 544.20062 245.7
[M]+ 523.22540 237.7
[M]- 523.22650 237.7
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