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 184.4
[M+Na]+ 399.02892 194.6
[M-H]- 375.03242 192.6
[M+NH4]+ 394.07352 197.9
[M+K]+ 415.00286 188.0
[M+H-H2O]+ 359.03696 176.9
[M+HCOO]- 421.03790 200.9
[M+CH3COO]- 435.05355 195.4
[M+Na-2H]- 397.01437 183.6
[M]+ 376.03915 190.8
[M]- 376.04025 190.8
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.