CID 260798

7-(benzyloxy)-1h-indole

Structural Information

Molecular Formula
C15H13NO
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3
InChI
InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h1-10,16H,11H2
InChIKey
DIGZMTAFOACVBW-UHFFFAOYSA-N
Compound name
7-phenylmethoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
Patents

223.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 147.8
[M+Na]+ 246.088938 156.9
[M-H]- 222.092444 153.2
[M+NH4]+ 241.133543 166.7
[M+K]+ 262.062878 151.4
[M+H-H2O]+ 206.096980 140.3
[M+HCOO]- 268.097921 171.3
[M+CH3COO]- 282.113571 160.9
[M+Na-2H]- 244.074386 155.5
[M]+ 223.09917142 148.7
[M]- 223.10026858 148.7
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