CID 43808

Brn 0434103

Structural Information

Molecular Formula
C19H19NO3
SMILES
CCOC(C1=CC=CC=C1)C2=C(N(C3=CC=CC=C32)C)C(=O)O
InChI
InChI=1S/C19H19NO3/c1-3-23-18(13-9-5-4-6-10-13)16-14-11-7-8-12-15(14)20(2)17(16)19(21)22/h4-12,18H,3H2,1-2H3,(H,21,22)
InChIKey
FLDCPJIPCJSLPT-UHFFFAOYSA-N
Compound name
3-[ethoxy(phenyl)methyl]-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 172.6
[M+Na]+ 332.12572 180.9
[M-H]- 308.12922 178.3
[M+NH4]+ 327.17032 188.1
[M+K]+ 348.09966 176.4
[M+H-H2O]+ 292.13376 164.6
[M+HCOO]- 354.13470 193.1
[M+CH3COO]- 368.15035 204.9
[M+Na-2H]- 330.11117 174.4
[M]+ 309.13595 176.5
[M]- 309.13705 176.5
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.