CID 14624

5-benzyloxyindole

Structural Information

Molecular Formula
C15H13NO
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
InChIKey
JCQLPDZCNSVBMS-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1524
Patents

223.09972 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 149.1
[M+Na]+ 246.08894 165.0
[M+NH4]+ 241.13354 159.0
[M+K]+ 262.06288 157.7
[M-H]- 222.09244 153.9
[M+Na-2H]- 244.07439 159.3
[M]+ 223.09917 152.9
[M]- 223.10027 152.9
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