CID 3075122

(z)-1-(2',6'-dichlorophenyl)-3-(beta-diethylaminoethyl)aminomethylene-2-indolinone

Structural Information

Molecular Formula
C21H23Cl2N3O
SMILES
CCN(CC)CCN=CC1=C(N(C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl)O
InChI
InChI=1S/C21H23Cl2N3O/c1-3-25(4-2)13-12-24-14-16-15-8-5-6-11-19(15)26(21(16)27)20-17(22)9-7-10-18(20)23/h5-11,14,27H,3-4,12-13H2,1-2H3
InChIKey
YCPFCDWZMDIEDU-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12183 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12911 199.0
[M+Na]+ 426.11105 209.1
[M-H]- 402.11455 206.2
[M+NH4]+ 421.15565 213.5
[M+K]+ 442.08499 201.2
[M+H-H2O]+ 386.11909 190.7
[M+HCOO]- 448.12003 214.6
[M+CH3COO]- 462.13568 229.6
[M+Na-2H]- 424.09650 199.6
[M]+ 403.12128 207.9
[M]- 403.12238 207.9
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.