CID 206053

Brn 0435511

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC1=CC(=C(N1C2=C(C=CC(=C2)OC)OC)C)CC(=O)O
InChI
InChI=1S/C16H19NO4/c1-10-7-12(8-16(18)19)11(2)17(10)14-9-13(20-3)5-6-15(14)21-4/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKey
QDKWTJXEMQCHPU-UHFFFAOYSA-N
Compound name
2-[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 167.4
[M+Na]+ 312.12062 179.7
[M+NH4]+ 307.16522 173.5
[M+K]+ 328.09456 176.3
[M-H]- 288.12412 168.9
[M+Na-2H]- 310.10607 172.1
[M]+ 289.13085 169.4
[M]- 289.13195 169.4
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.