CID 135547217

302918-12-3

Structural Information

Molecular Formula
C16H13ClN4O3S
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C16H13ClN4O3S/c1-24-12-4-2-3-9(15(12)22)8-18-21-16(23)11-7-10(19-20-11)13-5-6-14(17)25-13/h2-8,22H,1H3,(H,19,20)(H,21,23)/b18-8+
InChIKey
LOUAUGKGUWMJLD-QGMBQPNBSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0397 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04698 185.0
[M+Na]+ 399.02892 196.7
[M+NH4]+ 394.07352 191.0
[M+K]+ 415.00286 192.2
[M-H]- 375.03242 188.8
[M+Na-2H]- 397.01437 191.9
[M]+ 376.03915 188.2
[M]- 376.04025 188.2
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.