CID 6889198

634896-54-1

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16953 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17681 197.6
[M+Na]+ 434.15875 203.0
[M-H]- 410.16225 206.5
[M+NH4]+ 429.20335 203.9
[M+K]+ 450.13269 195.7
[M+H-H2O]+ 394.16679 184.5
[M+HCOO]- 456.16773 219.4
[M+CH3COO]- 470.18338 205.8
[M+Na-2H]- 432.14420 200.7
[M]+ 411.16898 197.3
[M]- 411.17008 197.3
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.