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]+ 363.066146 182.7
[M+Na]+ 385.048088 194.4
[M-H]- 361.051594 187.9
[M+NH4]+ 380.092693 198.0
[M+K]+ 401.022028 185.8
[M+H-H2O]+ 345.056130 175.9
[M+HCOO]- 407.057071 196.6
[M+CH3COO]- 421.072721 193.8
[M+Na-2H]- 383.033536 185.0
[M]+ 362.05832142 189.6
[M]- 362.05941858 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