CID 135424642

Chembl173040

Structural Information

Molecular Formula
C16H10ClN3O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Cl)O)N=O
InChI
InChI=1S/C16H10ClN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H
InChIKey
HKECWLZKPZHUND-UHFFFAOYSA-N
Compound name
6-chloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

311.04614 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.05342 167.4
[M+Na]+ 334.03536 181.2
[M-H]- 310.03886 173.2
[M+NH4]+ 329.07996 185.0
[M+K]+ 350.00930 172.9
[M+H-H2O]+ 294.04340 160.7
[M+HCOO]- 356.04434 186.3
[M+CH3COO]- 370.05999 180.1
[M+Na-2H]- 332.02081 172.2
[M]+ 311.04559 172.5
[M]- 311.04669 172.5
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.