CID 1491288

Methyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)-2-hydroxybenzenecarboxylate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=CC=C(N1C2=CC(=C(C=C2)C(=O)OC)O)C
InChI
InChI=1S/C14H15NO3/c1-9-4-5-10(2)15(9)11-6-7-12(13(16)8-11)14(17)18-3/h4-8,16H,1-3H3
InChIKey
REGPOQDITWHACV-UHFFFAOYSA-N
Compound name
methyl 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

245.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.8
[M+Na]+ 268.09442 163.5
[M-H]- 244.09792 159.1
[M+NH4]+ 263.13902 171.6
[M+K]+ 284.06836 160.4
[M+H-H2O]+ 228.10246 147.1
[M+HCOO]- 290.10340 176.0
[M+CH3COO]- 304.11905 192.2
[M+Na-2H]- 266.07987 155.0
[M]+ 245.10465 156.8
[M]- 245.10575 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe