CID 33675

Oxametacin

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NO
InChI
InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)
InChIKey
AJRNYCDWNITGHF-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

4916
Patents

372.08768 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09496 184.9
[M+Na]+ 395.07690 195.1
[M-H]- 371.08040 191.3
[M+NH4]+ 390.12150 199.0
[M+K]+ 411.05084 189.4
[M+H-H2O]+ 355.08494 177.7
[M+HCOO]- 417.08588 202.3
[M+CH3COO]- 431.10153 216.3
[M+Na-2H]- 393.06235 185.7
[M]+ 372.08713 192.0
[M]- 372.08823 192.0
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.