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 165.1
[M+Na]+ 312.12062 174.5
[M-H]- 288.12412 170.4
[M+NH4]+ 307.16522 181.3
[M+K]+ 328.09456 171.7
[M+H-H2O]+ 272.12866 158.1
[M+HCOO]- 334.12960 186.8
[M+CH3COO]- 348.14525 202.2
[M+Na-2H]- 310.10607 164.7
[M]+ 289.13085 170.8
[M]- 289.13195 170.8
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

No patent data available for this compound.