CID 447316

Fti

Structural Information

Molecular Formula
C29H21N5O
SMILES
C1C(=C(C=CN1C(=O)CC2=CN=CN2CC3=CC=C(C=C3)C#N)C#N)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H21N5O/c30-15-21-8-10-22(11-9-21)18-34-20-32-17-25(34)14-29(35)33-13-12-24(16-31)28(19-33)27-7-3-5-23-4-1-2-6-26(23)27/h1-13,17,20H,14,18-19H2
InChIKey
AVPJPODZQRJTHL-UHFFFAOYSA-N
Compound name
1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-3-naphthalen-1-yl-2H-pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.17462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.18190 225.3
[M+Na]+ 478.16384 237.3
[M+NH4]+ 473.20844 225.2
[M+K]+ 494.13778 224.4
[M-H]- 454.16734 218.8
[M+Na-2H]- 476.14929 226.4
[M]+ 455.17407 224.2
[M]- 455.17517 224.2
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

No patent data available for this compound.