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]+ 349.050516 178.2
[M+Na]+ 371.032458 190.3
[M-H]- 347.035964 183.5
[M+NH4]+ 366.077063 194.0
[M+K]+ 387.006398 181.9
[M+H-H2O]+ 331.040500 171.5
[M+HCOO]- 393.041441 192.4
[M+CH3COO]- 407.057091 189.7
[M+Na-2H]- 369.017906 181.0
[M]+ 348.04269142 184.7
[M]- 348.04378858 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.