CID 57465808

566200-79-1

Structural Information

Molecular Formula
C37H33N3O3
SMILES
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@@](CCO)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C37H33N3O3/c1-38-35(42)29-18-17-28-24-33(20-19-27(28)23-29)36(43,21-22-41)34-25-40(26-39-34)37(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,23-26,41,43H,21-22H2,1H3,(H,38,42)/t36-/m0/s1
InChIKey
UXPBYIZHMMSNDJ-BHVANESWSA-N
Compound name
6-[(1S)-1,3-dihydroxy-1-(1-tritylimidazol-4-yl)propyl]-N-methylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

567.2522 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.25948 243.2
[M+Na]+ 590.24142 259.1
[M+NH4]+ 585.28602 248.7
[M+K]+ 606.21536 251.4
[M-H]- 566.24492 252.2
[M+Na-2H]- 588.22687 255.9
[M]+ 567.25165 248.3
[M]- 567.25275 248.3
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