CID 366700

Nsc635417

Structural Information

Molecular Formula
C11H9Cl2N7O
SMILES
CC1=NN=C(N1N)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O
InChI
InChI=1S/C11H9Cl2N7O/c1-4-16-18-11(20(4)14)19-17-9-6-2-5(12)3-7(13)8(6)15-10(9)21/h2-3,15,21H,14H2,1H3
InChIKey
TXKAEZDWITVOHI-UHFFFAOYSA-N
Compound name
3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5,7-dichloro-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.02457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03185 171.9
[M+Na]+ 348.01379 185.5
[M-H]- 324.01729 175.7
[M+NH4]+ 343.05839 186.3
[M+K]+ 363.98773 178.7
[M+H-H2O]+ 308.02183 163.2
[M+HCOO]- 370.02277 187.4
[M+CH3COO]- 384.03842 183.4
[M+Na-2H]- 345.99924 174.7
[M]+ 325.02402 176.7
[M]- 325.02512 176.7
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.