CID 9564489

302918-76-9

Structural Information

Molecular Formula
C19H20ClN5OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H20ClN5OS/c1-3-25(4-2)14-7-5-13(6-8-14)12-21-24-19(26)16-11-15(22-23-16)17-9-10-18(20)27-17/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
RVOMDSYGCNPORZ-CIAFOILYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1077 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11498 194.2
[M+Na]+ 424.09692 205.3
[M+NH4]+ 419.14152 200.9
[M+K]+ 440.07086 199.5
[M-H]- 400.10042 199.8
[M+Na-2H]- 422.08237 202.1
[M]+ 401.10715 197.8
[M]- 401.10825 197.8
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.