CID 135547223

303104-91-8

Structural Information

Molecular Formula
C17H12ClN5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=NNC(=C3)C4=CC=C(S4)Cl
InChI
InChI=1S/C17H12ClN5OS/c18-16-6-5-15(25-16)13-7-14(22-21-13)17(24)23-20-9-10-8-19-12-4-2-1-3-11(10)12/h1-9,19H,(H,21,22)(H,23,24)/b20-9+
InChIKey
OKLKRMVVRHLAJJ-AWQFTUOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0451 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05238 183.0
[M+Na]+ 392.03432 195.1
[M-H]- 368.03782 191.8
[M+NH4]+ 387.07892 198.5
[M+K]+ 408.00826 187.5
[M+H-H2O]+ 352.04236 175.9
[M+HCOO]- 414.04330 199.9
[M+CH3COO]- 428.05895 194.6
[M+Na-2H]- 390.01977 183.1
[M]+ 369.04455 188.9
[M]- 369.04565 188.9
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.