CID 15956875

Schembl6449915

Structural Information

Molecular Formula
C25H19N3O
SMILES
C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C4=NN(C=C4)C5=CC=CC=N5
InChI
InChI=1S/C25H19N3O/c1-2-8-19(9-3-1)18-29-23-14-13-20-10-4-5-11-21(20)25(23)22-15-17-28(27-22)24-12-6-7-16-26-24/h1-17H,18H2
InChIKey
PDUVTIONPYGPKK-UHFFFAOYSA-N
Compound name
2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.1528 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16008 192.1
[M+Na]+ 400.14202 201.0
[M-H]- 376.14552 201.8
[M+NH4]+ 395.18662 201.4
[M+K]+ 416.11596 192.4
[M+H-H2O]+ 360.15006 179.0
[M+HCOO]- 422.15100 212.6
[M+CH3COO]- 436.16665 201.8
[M+Na-2H]- 398.12747 197.2
[M]+ 377.15225 193.8
[M]- 377.15335 193.8
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