CID 1736267

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

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=C(N2C3=C(C=CC=C3Cl)Cl)O)C=NCCCO
InChI
InChI=1S/C18H16Cl2N2O2/c19-14-6-3-7-15(20)17(14)22-16-8-2-1-5-12(16)13(18(22)24)11-21-9-4-10-23/h1-3,5-8,11,23-24H,4,9-10H2
InChIKey
LXLXUQHEJPMKSH-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(3-hydroxypropyliminomethyl)indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

362.05887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 182.7
[M+Na]+ 385.04809 194.4
[M-H]- 361.05159 187.9
[M+NH4]+ 380.09269 198.0
[M+K]+ 401.02203 185.8
[M+H-H2O]+ 345.05613 175.9
[M+HCOO]- 407.05707 196.6
[M+CH3COO]- 421.07272 193.8
[M+Na-2H]- 383.03354 185.0
[M]+ 362.05832 189.6
[M]- 362.05942 189.6
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