CID 3075127

2h-indol-2-one, 1,3-dihydro-1-(2,6-dichlorophenyl)-3-(((1-(hydroxymethyl)propyl)amino)methylene)-, (z)-

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
CCC(CO)N=CC1=C(N(C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl)O
InChI
InChI=1S/C19H18Cl2N2O2/c1-2-12(11-24)22-10-14-13-6-3-4-9-17(13)23(19(14)25)18-15(20)7-5-8-16(18)21/h3-10,12,24-25H,2,11H2,1H3
InChIKey
ONQHJEHFBHLASM-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.07452 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 187.0
[M+Na]+ 399.06374 197.9
[M-H]- 375.06724 192.2
[M+NH4]+ 394.10834 201.6
[M+K]+ 415.03768 189.6
[M+H-H2O]+ 359.07178 180.2
[M+HCOO]- 421.07272 199.6
[M+CH3COO]- 435.08837 216.4
[M+Na-2H]- 397.04919 187.7
[M]+ 376.07397 193.7
[M]- 376.07507 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.