CID 9671643

303106-48-1

Structural Information

Molecular Formula
C24H21N5O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC=N4
InChI
InChI=1S/C24H21N5O2/c1-17-5-7-18(8-6-17)16-31-21-11-9-19(10-12-21)22-14-23(28-27-22)24(30)29-26-15-20-4-2-3-13-25-20/h2-15H,16H2,1H3,(H,27,28)(H,29,30)/b26-15+
InChIKey
YUTQFMRMQMKDJR-CVKSISIWSA-N
Compound name
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16953 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17681 200.6
[M+Na]+ 434.15875 214.8
[M+NH4]+ 429.20335 206.1
[M+K]+ 450.13269 208.3
[M-H]- 410.16225 207.5
[M+Na-2H]- 432.14420 211.8
[M]+ 411.16898 204.4
[M]- 411.17008 204.4
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.