CID 3075126

172371-96-9

Structural Information

Molecular Formula
C18H16Cl2N2O3
SMILES
C1=CC=C2C(=C1)C(=C(N2C3=C(C=CC=C3Cl)Cl)O)C=NCC(CO)O
InChI
InChI=1S/C18H16Cl2N2O3/c19-14-5-3-6-15(20)17(14)22-16-7-2-1-4-12(16)13(18(22)25)9-21-8-11(24)10-23/h1-7,9,11,23-25H,8,10H2
InChIKey
QYQJVRWJQHREBP-UHFFFAOYSA-N
Compound name
3-[[1-(2,6-dichlorophenyl)-2-hydroxyindol-3-yl]methylideneamino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0538 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.061076 184.1
[M+Na]+ 401.043018 194.8
[M-H]- 377.046524 188.3
[M+NH4]+ 396.087623 198.0
[M+K]+ 417.016958 186.8
[M+H-H2O]+ 361.051060 177.9
[M+HCOO]- 423.052001 195.9
[M+CH3COO]- 437.067651 213.4
[M+Na-2H]- 399.028466 185.3
[M]+ 378.05325142 190.3
[M]- 378.05434858 190.3
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.