CID 6869541

303106-96-9

Structural Information

Molecular Formula
C18H17ClN4O4S
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl)OC)OC
InChI
InChI=1S/C18H17ClN4O4S/c1-25-13-8-15(27-3)14(26-2)6-10(13)9-20-23-18(24)12-7-11(21-22-12)16-4-5-17(19)28-16/h4-9H,1-3H3,(H,21,22)(H,23,24)/b20-9+
InChIKey
SDPPFZODECAPNB-AWQFTUOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.06592 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.07320 197.3
[M+Na]+ 443.05514 209.0
[M+NH4]+ 438.09974 202.7
[M+K]+ 459.02908 204.5
[M-H]- 419.05864 201.2
[M+Na-2H]- 441.04059 203.6
[M]+ 420.06537 200.5
[M]- 420.06647 200.5
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.