CID 370001

Nsc642565

Structural Information

Molecular Formula
C19H17ClN6O3S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CNNC(=O)CC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H17ClN6O3S/c20-13-7-4-8-14(9-13)22-15(27)10-16(28)24-21-11-17(29)23-19-26-25-18(30-19)12-5-2-1-3-6-12/h1-9,21H,10-11H2,(H,22,27)(H,24,28)(H,23,26,29)
InChIKey
DIAURNOGQWMBSF-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.07715 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.08443 197.9
[M+Na]+ 467.06637 202.2
[M-H]- 443.06987 205.3
[M+NH4]+ 462.11097 205.6
[M+K]+ 483.04031 196.3
[M+H-H2O]+ 427.07441 188.2
[M+HCOO]- 489.07535 212.9
[M+CH3COO]- 503.09100 232.5
[M+Na-2H]- 465.05182 199.8
[M]+ 444.07660 200.8
[M]- 444.07770 200.8
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.