CID 43807

Brn 0424673

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3)OC
InChI
InChI=1S/C18H17NO3/c1-19-14-11-7-6-10-13(14)15(16(19)18(20)21)17(22-2)12-8-4-3-5-9-12/h3-11,17H,1-2H3,(H,20,21)
InChIKey
QNRPKBYUEZGECQ-UHFFFAOYSA-N
Compound name
3-[methoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.9
[M+Na]+ 318.11007 176.6
[M-H]- 294.11357 173.7
[M+NH4]+ 313.15467 184.0
[M+K]+ 334.08401 172.4
[M+H-H2O]+ 278.11811 160.1
[M+HCOO]- 340.11905 188.8
[M+CH3COO]- 354.13470 201.9
[M+Na-2H]- 316.09552 170.2
[M]+ 295.12030 171.5
[M]- 295.12140 171.5
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

No patent data available for this compound.