CID 1508

2-(2-hydroxyphenyl)-1h-indole-5-carboximidamide

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)C(=N)N)O
InChI
InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
InChIKey
JPGNPKIYCTXJPG-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

251.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 154.4
[M+Na]+ 274.095088 163.1
[M-H]- 250.098594 158.9
[M+NH4]+ 269.139693 171.0
[M+K]+ 290.069028 156.5
[M+H-H2O]+ 234.103130 147.2
[M+HCOO]- 296.104071 177.1
[M+CH3COO]- 310.119721 166.2
[M+Na-2H]- 272.080536 159.4
[M]+ 251.10532142 150.9
[M]- 251.10641858 150.9
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