CID 447476

Cra_8696

Structural Information

Molecular Formula
C21H17N3O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC4=C(N3)C=CC(=C4)C(=N)N)O
InChI
InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
InChIKey
GAVRMVQHHVMXFD-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-phenylphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
Patents

327.13718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 175.5
[M+Na]+ 350.12640 183.5
[M-H]- 326.12990 182.9
[M+NH4]+ 345.17100 188.5
[M+K]+ 366.10034 175.3
[M+H-H2O]+ 310.13444 166.8
[M+HCOO]- 372.13538 197.2
[M+CH3COO]- 386.15103 185.8
[M+Na-2H]- 348.11185 179.0
[M]+ 327.13663 171.9
[M]- 327.13773 171.9
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