CID 3075121

172371-89-0

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
CN(C)/C=C\1/C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O/c1-20(2)10-12-11-6-3-4-9-15(11)21(17(12)22)16-13(18)7-5-8-14(16)19/h3-10H,1-2H3/b12-10-
InChIKey
YJGDYQALPAFOPW-BENRWUELSA-N
Compound name
(3Z)-1-(2,6-dichlorophenyl)-3-(dimethylaminomethylidene)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0483 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 177.2
[M+Na]+ 355.03752 188.4
[M-H]- 331.04102 184.5
[M+NH4]+ 350.08212 194.8
[M+K]+ 371.01146 181.0
[M+H-H2O]+ 315.04556 170.2
[M+HCOO]- 377.04650 190.6
[M+CH3COO]- 391.06215 189.0
[M+Na-2H]- 353.02297 177.5
[M]+ 332.04775 181.8
[M]- 332.04885 181.8
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.