CID 6888880

634897-09-9

Structural Information

Molecular Formula
C23H18ClN5O2
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CN=CC=C4)Cl
InChI
InChI=1S/C23H18ClN5O2/c24-20-6-2-1-5-18(20)15-31-19-9-7-17(8-10-19)21-12-22(28-27-21)23(30)29-26-14-16-4-3-11-25-13-16/h1-14H,15H2,(H,27,28)(H,29,30)/b26-14+
InChIKey
CTGDPVHNJPADLW-VULFUBBASA-N
Compound name
3-[4-[(2-chlorophenyl)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

431.1149 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12218 202.9
[M+Na]+ 454.10412 218.2
[M+NH4]+ 449.14872 208.9
[M+K]+ 470.07806 210.9
[M-H]- 430.10762 209.9
[M+Na-2H]- 452.08957 214.3
[M]+ 431.11435 207.2
[M]- 431.11545 207.2
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.