CID 376577

Nsc657589

Structural Information

Molecular Formula
C17H10Cl2N4OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H10Cl2N4OS/c18-11-6-5-9(7-12(11)19)14-8-25-17(21-14)23-22-15-10-3-1-2-4-13(10)20-16(15)24/h1-8,20,24H
InChIKey
YFMNXGKRBKNNST-UHFFFAOYSA-N
Compound name
3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.99524 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00252 187.5
[M+Na]+ 410.98446 201.0
[M-H]- 386.98796 197.2
[M+NH4]+ 406.02906 203.1
[M+K]+ 426.95840 192.6
[M+H-H2O]+ 370.99250 180.4
[M+HCOO]- 432.99344 200.2
[M+CH3COO]- 447.00909 199.2
[M+Na-2H]- 408.96991 188.4
[M]+ 387.99469 195.4
[M]- 387.99579 195.4
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

patents stripe