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

literature stripe

Patent stripe

patents stripe