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
4
Annotation Hits

20
References

5056
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

literature stripe

Patent stripe

patents stripe