CID 71321

Romazarit

Structural Information

Molecular Formula
C15H16ClNO4
SMILES
CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)COC(C)(C)C(=O)O
InChI
InChI=1S/C15H16ClNO4/c1-9-12(8-20-15(2,3)14(18)19)21-13(17-9)10-4-6-11(16)7-5-10/h4-7H,8H2,1-3H3,(H,18,19)
InChIKey
LNXXSBRGLBOASF-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

3861
Patents

309.07678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08406 168.5
[M+Na]+ 332.06600 177.8
[M-H]- 308.06950 174.1
[M+NH4]+ 327.11060 182.9
[M+K]+ 348.03994 174.7
[M+H-H2O]+ 292.07404 162.4
[M+HCOO]- 354.07498 183.4
[M+CH3COO]- 368.09063 200.9
[M+Na-2H]- 330.05145 171.2
[M]+ 309.07623 175.2
[M]- 309.07733 175.2
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