CID 9661992

303106-25-4

Structural Information

Molecular Formula
C22H17ClN4O3
SMILES
C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CO3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN4O3/c23-16-9-7-15(8-10-16)14-30-21-6-2-1-5-18(21)19-12-20(26-25-19)22(28)27-24-13-17-4-3-11-29-17/h1-13H,14H2,(H,25,26)(H,27,28)/b24-13+
InChIKey
MKUNYVMPDFVNHE-ZMOGYAJESA-N
Compound name
3-[2-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0989 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.10618 199.1
[M+Na]+ 443.08812 213.6
[M+NH4]+ 438.13272 205.2
[M+K]+ 459.06206 209.2
[M-H]- 419.09162 207.1
[M+Na-2H]- 441.07357 209.2
[M]+ 420.09835 203.6
[M]- 420.09945 203.6
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.