CID 85514

1-methoxy-2-phenyl-1h-indole

Structural Information

Molecular Formula
C15H13NO
SMILES
CON1C2=CC=CC=C2C=C1C3=CC=CC=C3
InChI
InChI=1S/C15H13NO/c1-17-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
ZHQNIQVOVQMVNI-UHFFFAOYSA-N
Compound name
1-methoxy-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.09972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 147.8
[M+Na]+ 246.08894 158.3
[M-H]- 222.09244 155.0
[M+NH4]+ 241.13354 167.8
[M+K]+ 262.06288 153.8
[M+H-H2O]+ 206.09698 140.2
[M+HCOO]- 268.09792 172.9
[M+CH3COO]- 282.11357 162.0
[M+Na-2H]- 244.07439 155.2
[M]+ 223.09917 151.0
[M]- 223.10027 151.0
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