CID 445844

Chembl339902

Structural Information

Molecular Formula
C21H16ClN3O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC4=CC(=C(C=C4N3)Cl)C(=N)N)O
InChI
InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)
InChIKey
FEKRWNWZMOSVBX-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

361.09818 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10546 184.4
[M+Na]+ 384.08740 194.2
[M-H]- 360.09090 191.9
[M+NH4]+ 379.13200 197.3
[M+K]+ 400.06134 184.6
[M+H-H2O]+ 344.09544 176.4
[M+HCOO]- 406.09638 201.6
[M+CH3COO]- 420.11203 194.6
[M+Na-2H]- 382.07285 186.5
[M]+ 361.09763 183.8
[M]- 361.09873 183.8
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