CID 6888587

303106-92-5

Structural Information

Molecular Formula
C23H19N5O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=NC=C4
InChI
InChI=1S/C23H19N5O2/c29-23(28-25-15-17-10-12-24-13-11-17)22-14-21(26-27-22)19-6-8-20(9-7-19)30-16-18-4-2-1-3-5-18/h1-15H,16H2,(H,26,27)(H,28,29)/b25-15+
InChIKey
HJGCKFMLFDYEGJ-MFKUBSTISA-N
Compound name
3-(4-phenylmethoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 191.9
[M+Na]+ 420.14309 196.8
[M-H]- 396.14659 200.6
[M+NH4]+ 415.18769 198.5
[M+K]+ 436.11703 189.8
[M+H-H2O]+ 380.15113 178.8
[M+HCOO]- 442.15207 214.1
[M+CH3COO]- 456.16772 200.2
[M+Na-2H]- 418.12854 196.4
[M]+ 397.15332 190.9
[M]- 397.15442 190.9
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.