CID 447488

Cra_10991

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
C1CCC(C1)OC2=CC=CC(=C2O)C3=CC4=CC(=C(C=C4N3)Cl)C(=N)N
InChI
InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23)
InChIKey
QXAURVOBXQBPAP-UHFFFAOYSA-N
Compound name
6-chloro-2-(3-cyclopentyloxy-2-hydroxyphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

369.1244 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 185.8
[M+Na]+ 392.11362 193.5
[M-H]- 368.11712 193.1
[M+NH4]+ 387.15822 200.1
[M+K]+ 408.08756 185.5
[M+H-H2O]+ 352.12166 178.7
[M+HCOO]- 414.12260 201.6
[M+CH3COO]- 428.13825 195.5
[M+Na-2H]- 390.09907 184.1
[M]+ 369.12385 184.2
[M]- 369.12495 184.2
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

patents stripe