CID 9560074

Mls000769220

Structural Information

Molecular Formula
C23H19N5O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=CN=CC=C4
InChI
InChI=1S/C23H19N5O2/c29-23(28-25-15-18-9-6-12-24-14-18)21-13-20(26-27-21)19-10-4-5-11-22(19)30-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,26,27)(H,28,29)/b25-15+
InChIKey
DRORPXYWBZETIE-MFKUBSTISA-N
Compound name
3-(2-phenylmethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

397.15387 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16115 195.8
[M+Na]+ 420.14309 209.9
[M+NH4]+ 415.18769 201.5
[M+K]+ 436.11703 203.4
[M-H]- 396.14659 202.7
[M+Na-2H]- 418.12854 207.5
[M]+ 397.15332 199.6
[M]- 397.15442 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.