CID 135499435

Nsc659841

Structural Information

Molecular Formula
C19H15N7O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=C(N2)N)/C=N/C(=S)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C19H15N7O2S/c20-16-13(18(28)26(25-16)11-6-2-1-3-7-11)10-21-19(29)24-23-15-12-8-4-5-9-14(12)22-17(15)27/h1-10,22,25,27H,20H2/b21-10+,24-23?
InChIKey
VVFFEVTURNGAMM-SOWFOQSNSA-N
Compound name
(1E)-1-[(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1008 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10808 191.2
[M+Na]+ 428.09002 201.3
[M-H]- 404.09352 200.3
[M+NH4]+ 423.13462 202.3
[M+K]+ 444.06396 193.7
[M+H-H2O]+ 388.09806 182.4
[M+HCOO]- 450.09900 212.9
[M+CH3COO]- 464.11465 201.3
[M+Na-2H]- 426.07547 193.6
[M]+ 405.10025 193.4
[M]- 405.10135 193.4
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.