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 196.4
[M+Na]+ 426.11105 211.9
[M+NH4]+ 421.15565 204.6
[M+K]+ 442.08499 203.1
[M-H]- 402.11455 201.9
[M+Na-2H]- 424.09650 203.7
[M]+ 403.12128 200.8
[M]- 403.12238 200.8
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.