CID 3005057

Nsc668497

Structural Information

Molecular Formula
C15H11ClN4OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClN4OS/c16-10-6-2-4-8-12(10)18-15(22)20-19-13-9-5-1-3-7-11(9)17-14(13)21/h1-8,17,21H,(H,18,22)
InChIKey
GYDJAIGSHYMAKI-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.0342 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04148 171.9
[M+Na]+ 353.02342 182.2
[M-H]- 329.02692 179.4
[M+NH4]+ 348.06802 188.4
[M+K]+ 368.99736 174.8
[M+H-H2O]+ 313.03146 165.0
[M+HCOO]- 375.03240 189.7
[M+CH3COO]- 389.04805 183.7
[M+Na-2H]- 351.00887 176.6
[M]+ 330.03365 176.0
[M]- 330.03475 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.