CID 2859755

159212-34-7

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1=CC=C(C=C1)CCN=CC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C17H16N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h1-9,12,19-20H,10-11H2
InChIKey
JPBDKEYMRCCTFG-UHFFFAOYSA-N
Compound name
3-(2-phenylethyliminomethyl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

264.12625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 159.5
[M+Na]+ 287.11547 168.1
[M-H]- 263.11897 164.9
[M+NH4]+ 282.16007 176.7
[M+K]+ 303.08941 161.5
[M+H-H2O]+ 247.12351 151.5
[M+HCOO]- 309.12445 183.6
[M+CH3COO]- 323.14010 171.6
[M+Na-2H]- 285.10092 166.1
[M]+ 264.12570 160.1
[M]- 264.12680 160.1
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