CID 3075125

172371-95-8

Structural Information

Molecular Formula
C17H14Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=C(N2C3=C(C=CC=C3Cl)Cl)O)C=NCCO
InChI
InChI=1S/C17H14Cl2N2O2/c18-13-5-3-6-14(19)16(13)21-15-7-2-1-4-11(15)12(17(21)23)10-20-8-9-22/h1-7,10,22-23H,8-9H2
InChIKey
NMYMOIIXBNOIRQ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(2-hydroxyethyliminomethyl)indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.04324 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05052 178.2
[M+Na]+ 371.03246 190.3
[M-H]- 347.03596 183.5
[M+NH4]+ 366.07706 194.0
[M+K]+ 387.00640 181.9
[M+H-H2O]+ 331.04050 171.5
[M+HCOO]- 393.04144 192.4
[M+CH3COO]- 407.05709 189.7
[M+Na-2H]- 369.01791 181.0
[M]+ 348.04269 184.7
[M]- 348.04379 184.7
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.