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]+ 379.06108 184.1
[M+Na]+ 401.04302 194.8
[M-H]- 377.04652 188.3
[M+NH4]+ 396.08762 198.0
[M+K]+ 417.01696 186.8
[M+H-H2O]+ 361.05106 177.9
[M+HCOO]- 423.05200 195.9
[M+CH3COO]- 437.06765 213.4
[M+Na-2H]- 399.02847 185.3
[M]+ 378.05325 190.3
[M]- 378.05435 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.