CID 3021959

Brn 5578633

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)OC(C)C(=O)NO)C
InChI
InChI=1S/C15H18N2O3/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)20-12(3)15(18)16-19/h4-9,12,19H,1-3H3,(H,16,18)
InChIKey
JOUDQKUCEBHEFQ-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.2
[M+Na]+ 297.12096 170.2
[M-H]- 273.12446 168.0
[M+NH4]+ 292.16556 179.1
[M+K]+ 313.09490 167.5
[M+H-H2O]+ 257.12900 155.6
[M+HCOO]- 319.12994 185.1
[M+CH3COO]- 333.14559 199.9
[M+Na-2H]- 295.10641 163.8
[M]+ 274.13119 164.8
[M]- 274.13229 164.8
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

patents stripe