CID 15956880

Schembl6454448

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1=C(N=CC=C1)N2C=CC(=N2)C3=C(C=C(C=C3)OC)OCC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O2/c1-17-7-6-13-24-23(17)26-14-12-21(25-26)20-11-10-19(27-2)15-22(20)28-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
InChIKey
CUDPFYFIYFDXJP-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.1634 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 190.6
[M+Na]+ 394.15262 198.9
[M-H]- 370.15612 199.7
[M+NH4]+ 389.19722 199.7
[M+K]+ 410.12656 192.3
[M+H-H2O]+ 354.16066 178.0
[M+HCOO]- 416.16160 211.2
[M+CH3COO]- 430.17725 200.5
[M+Na-2H]- 392.13807 192.5
[M]+ 371.16285 193.6
[M]- 371.16395 193.6
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