CID 2882762

172371-93-6

Structural Information

Molecular Formula
C25H22Cl2N2O3
SMILES
COC1=C(C=C(C=C1)CCN=CC2=C(N(C3=CC=CC=C32)C4=C(C=CC=C4Cl)Cl)O)OC
InChI
InChI=1S/C25H22Cl2N2O3/c1-31-22-11-10-16(14-23(22)32-2)12-13-28-15-18-17-6-3-4-9-21(17)29(25(18)30)24-19(26)7-5-8-20(24)27/h3-11,14-15,30H,12-13H2,1-2H3
InChIKey
MLYRZDNHOYPYMZ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

468.10074 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.10802 213.3
[M+Na]+ 491.08996 224.8
[M-H]- 467.09346 222.8
[M+NH4]+ 486.13456 224.7
[M+K]+ 507.06390 216.5
[M+H-H2O]+ 451.09800 203.8
[M+HCOO]- 513.09894 227.4
[M+CH3COO]- 527.11459 223.1
[M+Na-2H]- 489.07541 213.0
[M]+ 468.10019 224.1
[M]- 468.10129 224.1
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

patents stripe