CID 3037951

5-norbornene-2,3-dicarboximide, 5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-n-isopropyl-7-(alpha-2-pyridylbenzylidene)-, endo-

Structural Information

Molecular Formula
C36H31N3O3
SMILES
CC(C)N1C(=O)C2C\3C=C(C(C2C1=O)/C3=C(/C4=CC=CC=C4)\C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O
InChI
InChI=1S/C36H31N3O3/c1-22(2)39-34(40)31-25-21-26(36(42,24-15-7-4-8-16-24)28-18-10-12-20-38-28)32(33(31)35(39)41)30(25)29(23-13-5-3-6-14-23)27-17-9-11-19-37-27/h3-22,25,31-33,42H,1-2H3/b30-29-
InChIKey
WZHPHQUPSBHCAI-FLWNBWAVSA-N
Compound name
(10Z)-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.2366 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.24388 233.3
[M+Na]+ 576.22582 236.8
[M-H]- 552.22932 245.1
[M+NH4]+ 571.27042 239.3
[M+K]+ 592.19976 229.4
[M+H-H2O]+ 536.23386 223.2
[M+HCOO]- 598.23480 242.7
[M+CH3COO]- 612.25045 238.4
[M+Na-2H]- 574.21127 225.5
[M]+ 553.23605 231.9
[M]- 553.23715 231.9
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.