CID 9619619

634896-25-6

Structural Information

Molecular Formula
C22H17ClN4O2S
SMILES
C1=CSC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN4O2S/c23-17-7-3-15(4-8-17)14-29-18-9-5-16(6-10-18)20-12-21(26-25-20)22(28)27-24-13-19-2-1-11-30-19/h1-13H,14H2,(H,25,26)(H,27,28)/b24-13+
InChIKey
JYSUVZGLYXGMSK-ZMOGYAJESA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.07608 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08336 201.3
[M+Na]+ 459.06530 215.5
[M+NH4]+ 454.10990 208.4
[M+K]+ 475.03924 208.1
[M-H]- 435.06880 208.7
[M+Na-2H]- 457.05075 212.0
[M]+ 436.07553 206.1
[M]- 436.07663 206.1
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.