CID 119707

27737-55-9

Structural Information

Molecular Formula
C18H17NO3
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-2-21-18(20)16-11-14-15(19-16)9-6-10-17(14)22-12-13-7-4-3-5-8-13/h3-11,19H,2,12H2,1H3
InChIKey
HIQPISGKBJHKIN-UHFFFAOYSA-N
Compound name
ethyl 4-phenylmethoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

295.12085 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 168.1
[M+Na]+ 318.11007 176.4
[M-H]- 294.11357 173.5
[M+NH4]+ 313.15467 184.1
[M+K]+ 334.08401 171.5
[M+H-H2O]+ 278.11811 159.9
[M+HCOO]- 340.11905 190.1
[M+CH3COO]- 354.13470 199.2
[M+Na-2H]- 316.09552 172.3
[M]+ 295.12030 171.8
[M]- 295.12140 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe